2ALF

crystal structure of human CypA mutant K131A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.9801
Spacegroup name	C 2 2 21
Unit cell lengths	33.585, 68.264, 137.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 - 1.900
Rwork	0.193
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.130	0.321
Number of reflections	12379
Completeness [%]	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	277	Tris Hydrochloride, Polyethylene Glycol 8000, magnesium chloride, pH 8.5, EVAPORATION, temperature 277K