Pub Date : 2019-09-24DOI: 10.1080/0889311X.2019.1667338
G. Desiraju
It is not unusual in accounts of the discovery of the double helix to encounter highly critical comments on the behaviour of individuals involved and this book is no exception. However judgements are well supported by extensive references with the 387 pages of text being followed by 60 pages containing some 1500 notes identifying sources – a remarkable number for a book aimed at a general audience. In this context it is worth quoting from the author’s Last Words, ‘With such a rich and diverse cast, there are plenty of candidates who could round off the story in style. My own choice is a man who hovered on the periphery of the action, but who determined the course of this particular stretch of history: John Randall. Without him, the structure of the double helix would still have been solved – but Francis Crick, JimWatson, MauriceWilkins and Rosalind Franklin would probably have played no part in that discovery’. Randall continued to embrace challenges: in the early 1960s he secured generous support from the Medical Research Council and the Welcome Trust to establish a Department of Biophysics in a handsomely restored 5-storey building in Covent Garden and when he retired to Edinburgh University in 1970 he assembled a group undertaking novel studies of protein structure by neutron scattering at the Institut Laue-Langevin in Grenoble.
{"title":"The Hydrogen Bond. A Bond for Life","authors":"G. Desiraju","doi":"10.1080/0889311X.2019.1667338","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1667338","url":null,"abstract":"It is not unusual in accounts of the discovery of the double helix to encounter highly critical comments on the behaviour of individuals involved and this book is no exception. However judgements are well supported by extensive references with the 387 pages of text being followed by 60 pages containing some 1500 notes identifying sources – a remarkable number for a book aimed at a general audience. In this context it is worth quoting from the author’s Last Words, ‘With such a rich and diverse cast, there are plenty of candidates who could round off the story in style. My own choice is a man who hovered on the periphery of the action, but who determined the course of this particular stretch of history: John Randall. Without him, the structure of the double helix would still have been solved – but Francis Crick, JimWatson, MauriceWilkins and Rosalind Franklin would probably have played no part in that discovery’. Randall continued to embrace challenges: in the early 1960s he secured generous support from the Medical Research Council and the Welcome Trust to establish a Department of Biophysics in a handsomely restored 5-storey building in Covent Garden and when he retired to Edinburgh University in 1970 he assembled a group undertaking novel studies of protein structure by neutron scattering at the Institut Laue-Langevin in Grenoble.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"26 1","pages":"64 - 65"},"PeriodicalIF":3.0,"publicationDate":"2019-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1667338","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48934103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-08-14DOI: 10.1080/0889311X.2019.1641098
P. Bombicz
{"title":"A history and an industry perspective of crystallography","authors":"P. Bombicz","doi":"10.1080/0889311X.2019.1641098","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1641098","url":null,"abstract":"","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"263 - 263"},"PeriodicalIF":3.0,"publicationDate":"2019-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1641098","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42845279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-03DOI: 10.1080/0889311X.2019.1631817
A. Urzhumtsev, V. Lunin
ABSTRACT Refinement of atomic models is a necessary step in solving the macromolecular structure by X-ray diffraction methods. Nowadays, high automation and well-developed interfaces give a possibility to use the most popular refinement programs as black boxes. Nevertheless, working with complex objects requires an understanding of the internal structure and principles of operation of these programs and critical assessment of the results of refinement. In this review, we discuss the basic principles of the organization of refinement programs and the history of their improvement and development, as the studied objects became more and more complicated. The discussions are kept at the level of basic mathematic knowledge avoiding unnecessary formalism and too detailed expressions.
{"title":"Introduction to crystallographic refinement of macromolecular atomic models","authors":"A. Urzhumtsev, V. Lunin","doi":"10.1080/0889311X.2019.1631817","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1631817","url":null,"abstract":"ABSTRACT Refinement of atomic models is a necessary step in solving the macromolecular structure by X-ray diffraction methods. Nowadays, high automation and well-developed interfaces give a possibility to use the most popular refinement programs as black boxes. Nevertheless, working with complex objects requires an understanding of the internal structure and principles of operation of these programs and critical assessment of the results of refinement. In this review, we discuss the basic principles of the organization of refinement programs and the history of their improvement and development, as the studied objects became more and more complicated. The discussions are kept at the level of basic mathematic knowledge avoiding unnecessary formalism and too detailed expressions.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"164 - 262"},"PeriodicalIF":3.0,"publicationDate":"2019-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1631817","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42193803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-01DOI: 10.1080/0889311X.2019.1631295
D. Šišak Jung
ABSTRACT InGenious, so far the largest European education project clearly indicated one of the most important questions of modern education: optimizing the role of industry in education in STEM-fields (science, technology, engineering and mathematics). In this context, discussing the role of industry in crystallographic education could help to optimize future practices in the field. In an attempt to tackle this complex topic, first part of this review assesses definitions of crystallography, crystallographer and education approaches, and deducts questions on the challenges and opportunities of the contemporary crystallographic education. In the second part, some of these questions are answered by examining current and future roles of industry in crystallographic education: sponsorships, active teaching and technology transfer.
{"title":"An industry perspective of crystallography: its communities and its educational courses and labs","authors":"D. Šišak Jung","doi":"10.1080/0889311X.2019.1631295","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1631295","url":null,"abstract":"ABSTRACT InGenious, so far the largest European education project clearly indicated one of the most important questions of modern education: optimizing the role of industry in education in STEM-fields (science, technology, engineering and mathematics). In this context, discussing the role of industry in crystallographic education could help to optimize future practices in the field. In an attempt to tackle this complex topic, first part of this review assesses definitions of crystallography, crystallographer and education approaches, and deducts questions on the challenges and opportunities of the contemporary crystallographic education. In the second part, some of these questions are answered by examining current and future roles of industry in crystallographic education: sponsorships, active teaching and technology transfer.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"295 - 315"},"PeriodicalIF":3.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1631295","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49415949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-06-25DOI: 10.1080/0889311x.2019.1624315
P. Barnes
The Whys of a Scientific Life gives an insight into the day-to-day lives of research scientists and explains how their research eventually impacts on society. It is written by Prof. John R. Helliwe...
《科学生活的原因》深入了解了研究科学家的日常生活,并解释了他们的研究最终如何影响社会。作者是John R. Helliwe教授。
{"title":"The Whys of a Scientific Life","authors":"P. Barnes","doi":"10.1080/0889311x.2019.1624315","DOIUrl":"https://doi.org/10.1080/0889311x.2019.1624315","url":null,"abstract":"The Whys of a Scientific Life gives an insight into the day-to-day lives of research scientists and explains how their research eventually impacts on society. It is written by Prof. John R. Helliwe...","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"318 - 319"},"PeriodicalIF":3.0,"publicationDate":"2019-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311x.2019.1624315","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45915581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-06-14DOI: 10.1080/0889311X.2019.1615483
H. Powell
ABSTRACT The principal method used today for single crystal X-ray data collection is the Arndt–Wonacott screenless rotation method formalized in the late 1970s, but the physical hardware used now would be barely recognizable to scientists at that time. However, the technique of rotating a crystal around a single goniostat axis, illuminating it with monochromatic radiation, and collecting the data on a flat detector is identical. Indeed, this would not have been very surprising to the pioneers of X-ray crystallography early in the Twentieth Century, since the elements of this method were available in the early days of the science. In a sense, therefore, we have come full circle after utilizing a variety of different experimental methods and equipment, and the question arises; ‘how did we get here?’; after all, there were long periods in our science where we used point detectors or curved area detectors, or using polychromatic X-rays and stationary crystals. This review was originally presented at ECM31 in Oviedo, Spain in August 2018 under the title `Vagando entre los picos ¿cómo llegué hastaaquí? Improving methods in data collection and processing’; the Spanish texttranslates as ‘Wandering amongst the peaks – how did I get here?’.
目前用于单晶x射线数据收集的主要方法是20世纪70年代末形成的Arndt-Wonacott无屏幕旋转法,但现在使用的物理硬件在当时的科学家中几乎无法识别。然而,围绕单个测角器轴旋转晶体,用单色辐射照射晶体,并在平面探测器上收集数据的技术是相同的。事实上,对于二十世纪早期x射线晶体学的先驱来说,这并不奇怪,因为这种方法的要素在科学的早期就已经存在了。因此,从某种意义上说,我们在使用了各种不同的实验方法和设备后又兜了一个圈,问题出现了;“我们是怎么到这儿来的?”毕竟,在我们的科学中有很长一段时间,我们使用点探测器或弯曲区域探测器,或使用多色x射线和固定晶体。本综述最初于2018年8月在西班牙奥维耶多举行的ECM31上发表,标题为“Vagando entre los picos¿cómo lleggu hastaaquí?”改进数据收集和处理方法;西班牙文翻译过来是“徘徊在山峰之间——我是如何到达这里的?”
{"title":"From then till now: changing data collection methods in single crystal X-ray crystallography since 1912","authors":"H. Powell","doi":"10.1080/0889311X.2019.1615483","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1615483","url":null,"abstract":"ABSTRACT The principal method used today for single crystal X-ray data collection is the Arndt–Wonacott screenless rotation method formalized in the late 1970s, but the physical hardware used now would be barely recognizable to scientists at that time. However, the technique of rotating a crystal around a single goniostat axis, illuminating it with monochromatic radiation, and collecting the data on a flat detector is identical. Indeed, this would not have been very surprising to the pioneers of X-ray crystallography early in the Twentieth Century, since the elements of this method were available in the early days of the science. In a sense, therefore, we have come full circle after utilizing a variety of different experimental methods and equipment, and the question arises; ‘how did we get here?’; after all, there were long periods in our science where we used point detectors or curved area detectors, or using polychromatic X-rays and stationary crystals. This review was originally presented at ECM31 in Oviedo, Spain in August 2018 under the title `Vagando entre los picos ¿cómo llegué hastaaquí? Improving methods in data collection and processing’; the Spanish texttranslates as ‘Wandering amongst the peaks – how did I get here?’.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"264 - 294"},"PeriodicalIF":3.0,"publicationDate":"2019-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1615483","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47574264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-04-03DOI: 10.1080/0889311X.2019.1607845
Julian Henn
ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.
{"title":"Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones","authors":"Julian Henn","doi":"10.1080/0889311X.2019.1607845","DOIUrl":"https://doi.org/10.1080/0889311X.2019.1607845","url":null,"abstract":"ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.","PeriodicalId":54385,"journal":{"name":"Crystallography Reviews","volume":"25 1","pages":"156 - 83"},"PeriodicalIF":3.0,"publicationDate":"2019-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/0889311X.2019.1607845","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47242189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}