5KUL

Human cyclophilin A at 100K, Data set 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.100
Spacegroup name	P 21 21 21
Unit cell lengths	42.366, 52.562, 89.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.021 - 1.700
R-factor	0.183
Rwork	0.181
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f66
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	XDS
Data scaling software	Aimless (0.1.26)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.270	1.510
High resolution limit [Å]	1.480	1.480
Rmerge	0.055	0.525
Rmeas	0.068
Rpim	0.038
Total number of observations	87886
Number of reflections	31534
<I/σ(I)>	13.1
Completeness [%]	93.7	55.3
Redundancy	2.8	2.2
CC(1/2)	0.997	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF WELL SOLUTION (100 MM HEPES PH 7.5, 23% PEG 3350, 5 MM TCEP) AND PROTEIN (60 MG/ML IN 20 MM HEPES PH 7.5, 100 MM NACL, 0.5 MM TCEP) IN THE HANGING DROP FORMAT.