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2Z6W

Crystal structure of human cyclophilin D in complex with cyclosporin A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths38.882, 69.313, 112.077
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution56.080 - 0.960
R-factor0.13
Rwork0.129
R-free0.15300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2bit
RMSD bond length0.017
RMSD bond angle1.826
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]200.0000.970
High resolution limit [Å]0.9600.960
Rmerge0.0590.414
Number of reflections180558
<I/σ(I)>18.62.4
Completeness [%]97.796.6
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
12.920% PEG 3350, PH 2.9, VAPOR DIFFUSION, TEMPERATURE 293K

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