2HQJ

Cyclophilin from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9076
Spacegroup name	P 21 21 21
Unit cell lengths	45.865, 63.511, 66.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.430 - 2.000
Rwork	0.191
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.521
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.125	0.044	0.481
Number of reflections	13170
<I/σ(I)>	5.8
Completeness [%]	96.1	92.4	90.9
Redundancy	3.5	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	10	298	40% PEG 8000, 0.2M Potassium phosphate monobasic, 0.1M CAPS, 5mM DTT, pH 10.0, vapor diffusion, temperature 298K