5WC7

CypA Mutant - I97V S99T C115S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2013-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.115
Spacegroup name	P 21 21 21
Unit cell lengths	43.015, 52.432, 89.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.982 - 1.430
R-factor	0.1049
Rwork	0.104
R-free	0.12730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpl
RMSD bond length	0.009
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12rc1_2801: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.030	0.482
Number of reflections	38024	3735
<I/σ(I)>	21.86	2.77
Completeness [%]	99.0	100
Redundancy	4	4
CC(1/2)	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 MM HEPES PH 7.5, 22% PEG 3350