9RLM

HUMAN CYCLOPHILIN D IN COMPLEX WITH INHIBITOR

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 43 21 2
Unit cell lengths	57.039, 57.039, 114.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.080 - 1.250
R-factor	0.188
Rwork	0.186
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.013
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.050	1.500
High resolution limit [Å]	1.250	1.250
Rmeas	0.049	0.579
Number of reflections	52891	21829
<I/σ(I)>	22.99
Completeness [%]	99.7	99.2
Redundancy	12.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	298	50 mM potassium phosphate