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3BHI

Crystal structure of human Carbonyl Reductase 1 in complex with NADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2004-06-11
DetectorRIGAKU RAXIS
Spacegroup nameP 43 21 2
Unit cell lengths55.662, 55.662, 169.880
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.560 - 2.270
R-factor0.206
Rwork0.202
R-free0.28200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1wma
RMSD bond length0.025
RMSD bond angle2.076
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.350
High resolution limit [Å]2.2704.8902.270
Rmerge0.1780.0800.665
Number of reflections13104
<I/σ(I)>5
Completeness [%]99.797.8100
Redundancy5.34.95.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5298vapor diffusion, hanging drop, temperature 298K, pH7.5, VAPOR DIFFUSION, HANGING DROP

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