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3C6G

Crystal structure of CYP2R1 in complex with vitamin D3

Replaces:  2OJD
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-12-09
DetectorADSC QUANTUM 4
Wavelength(s)1.0000
Spacegroup nameC 2 2 21
Unit cell lengths137.680, 163.051, 152.755
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.340 - 2.800
R-factor0.195
Rwork0.193
R-free0.23100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1suo
RMSD bond length0.014
RMSD bond angle1.259
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.3.0037)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.800
High resolution limit [Å]2.7005.8002.700
Rmerge0.1380.0490.809
Number of reflections47597
<I/σ(I)>9.1
Completeness [%]98.599.986.2
Redundancy7.16.94.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.52911.1M Ammonium sulfate, 0.1M ADA, pH 6.5, VAPOR DIFFUSION, temperature 291K

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