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2O23

The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyCCD
Collection date2006-09-01
DetectorMARRESEARCH
Spacegroup nameP 32 2 1
Unit cell lengths117.037, 117.037, 69.087
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 1.200
R-factor0.123
Rwork0.123
R-free0.15395
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1u7t
RMSD bond length0.012
RMSD bond angle1.550
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((SCALA))
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.260
High resolution limit [Å]1.2001.200
Rmerge0.092
Number of reflections168585
<I/σ(I)>8.11.9
Completeness [%]99.599.2
Redundancy3.62.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729325.5% PEG 3350, 15% glycerol, 0.17 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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