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CCP14

Tutorials and Examples

Automated Single Crystal Structure Solution Using Sir

Sir2000 now released (December 2002)

The CCP14 Homepage is at http://www.ccp14.ac.uk

[CCP14 Tutorials page] | [Sir97 Tutorial Index] | [EXPO]
[WinGX] | [Crystals] | [Platon/System S]

Sir2002 is now released

To register and download Sir2002 (sequel to Sir97), goto http://www.ic.cnr.it


A new phasing procedure, working both in direct and in reciprocal space,
has been implemented into the program Sir2002 [1,2,3,4], the heir of
SIR97[6].

It is able to routinely solve ab initio crystal structure of proteins
and small molecules without any use of prior information and any user
intervention. Its efficiency has been tested by several protein
diffraction data. Success has been attained even for crystal structures
with about 2000 non-hydrogen atoms in the asymmetric unit, provided the
data resolution is higher than 1.2 Ang. The program Sir2002 proved to be
successful for a large variety of space groups and for structures of
different complexity.

The phasing procedure is rather time consuming: modifications have been
introduced to tune its power in order to be suitable either for proteins
either for small molecules.

The program is now available for distribution.

 [1] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L.,
Giacovazzo,
C., Polidori, G. & Spagna, R. (2000). Acta Cryst., A56, 451-457.

 [2] Burla M.C., Carrozzini, B., Cascarano, G.L., Giacovazzo, C. &
Polidori, G. (2000). J. Appl. Cryst., 33, 307-311.

 [3] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L.,
Giacovazzo,
C., Polidori, G. & Spagna, R. (2001). J. Appl. Cryst. -34, 523-526.

 [4] Burla M.C., Carrozzini, B., Cascarano, G.L., Giacovazzo, C. &
Polidori, G. (2002). Zeit. fur Kristall. 217, 000-000.

 [5] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L.,
Giacovazzo,
C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. - In preparation.

 [6] Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,

Guagliardi A., Moliterni A.G.G., Polidori G. & Spagna R. (1999).
J. Appl. Cryst. 32, 115-119


[CCP14 Tutorials page] | [Sir97 Tutorial Index] | [EXPO]
[WinGX] | [Crystals] | [Platon/System S]

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