2WFI

Atomic resolution crystal structure of the PPIase domain of human cyclophilin G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.544, 65.144, 69.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 0.750
R-factor	0.107
R-free	0.12400
Structure solution method	DIRECT METHODS
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	0.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.760
High resolution limit [Å]	0.750	0.750
Rmerge	0.060	0.520
Number of reflections	206194
<I/σ(I)>	17.4	1.68
Completeness [%]	93.5	79.1
Redundancy	7.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		28-32% PEG 4000 (W/V), 0.2M MGCL2, 0.1M TRIS PH 8.5