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6R9X

Human Cyclophilin D in complex with N-cyclopentyl-N'-pyridin-2-ylmethyl-oxalamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-05-13
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54179
Spacegroup nameP 41 21 2
Unit cell lengths57.239, 57.239, 87.603
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.380 - 1.660
R-factor0.149
Rwork0.144
R-free0.19300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4j5b
RMSD bond length0.010
RMSD bond angle1.040
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]87.6001.910
High resolution limit [Å]1.6601.660
Rmerge0.0680.195
Number of reflections168385436
<I/σ(I)>15.51
Completeness [%]94.691.4
Redundancy3.63.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP298PEG4000

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