2OK3

X-ray structure of human cyclophilin J at 2.0 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-01
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	40.577, 40.577, 170.682
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.110 - 2.000
R-factor	0.202
Rwork	0.202
R-free	0.25500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1xyh
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.036	0.188
Number of reflections	11753
Completeness [%]	99.4	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	277	0.1mol/L Tris(pH=8.3), 0.01mol/L nickel(II)chloride hexahydrate, 17%(w/v) PEGMME2000, VAPOR DIFFUSION, HANGING DROP, temperature 277K