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Ab initio phasing at resolution higher than experimental resolution

✍ Scribed by Caliandro, Rocco ;Carrozzini, Benedetta ;Cascarano, Giovani L. ;De Caro, Liberato ;Giacovazzo, Carmelo ;Siliqi, Dritan

Book ID
104478113
Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
245 KB
Volume
61
Category
Article
ISSN
0907-4449

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✦ Synopsis

Owing to the limited experimental resolution of data in macromolecular crystallography, ab initio phasing is successful only when atomic or quasi-atomic resolution data are available. It is shown that extrapolating the moduli and phases of non-measured reflections beyond and behind the experimental resolution limit makes the ab initio phasing process more efficient and leads to crystal structure solution even in cases in which the standard SIR2004 program does not succeed. Moreover, use of the extrapolated values improves the quality of the final electron-density maps and makes the recognition of the correct structure among several trial structures easier.

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