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4CQM

Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2013-09-20
DetectorDECTRIS PILATUS
Spacegroup nameP 1 21 1
Unit cell lengths87.501, 238.411, 87.688
Unit cell angles90.00, 94.18, 90.00
Refinement procedure
Resolution49.252 - 2.339
R-factor0.2049
Rwork0.203
R-free0.23550
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.002
RMSD bond angle0.645
Data reduction softwareXDS
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.2502.480
High resolution limit [Å]2.3402.340
Rmerge0.1000.660
Number of reflections283379
<I/σ(I)>5.51
Completeness [%]94.991.1
Redundancy6.61.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1518% PEG3350, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE PH 5.0

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