3R54

Human Cyclophilin D Complexed with a Fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-08
Detector	ADSC QUANTUM 315r
Spacegroup name	P 41 21 2
Unit cell lengths	57.357, 57.357, 87.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.970 - 1.350
R-factor	0.15133
Rwork	0.150
R-free	0.18395
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.383
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	REFMAC (5.4.0062)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	1.385
High resolution limit [Å]	1.350	1.350
Number of reflections	29445
Completeness [%]	95.4	85.3
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	291	30% PEG4000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K