3QYU

Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	298
Detector technology	CCD
Collection date	2010-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97964
Spacegroup name	P 41 21 2
Unit cell lengths	57.927, 57.927, 88.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.530 - 1.540
R-factor	0.14974
Rwork	0.148
R-free	0.18940
Structure solution method	isomorphous
Starting model (for MR)	2z6w
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.976	1.620
High resolution limit [Å]	1.540	1.540
Rmerge		0.299
Number of reflections	18518
<I/σ(I)>		2.2
Completeness [%]	86.2	82.1
Redundancy	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	291	30% Peg 4000, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	7.3	291	30% Peg 4000, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 291K