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6TO2

Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2017-11-02
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameH 3
Unit cell lengths103.411, 103.411, 218.210
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution82.850 - 2.000
R-factor0.2094
Rwork0.207
R-free0.24880
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4j6d
Data reduction softwareDIALS
Data scaling softwareAimless (0.7.4)
Phasing softwarePHENIX
Refinement softwarePHENIX (dev-3707)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]82.85082.8502.050
High resolution limit [Å]2.0008.9402.000
Rmerge0.2400.1082.894
Rmeas0.2520.1133.055
Rpim0.0770.0330.967
Total number of observations618378751541683
Number of reflections587386664306
<I/σ(I)>6.218.21.2
Completeness [%]99.999.799.9
Redundancy10.511.39.7
CC(1/2)0.9950.9960.547
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52930.1M BIS-TRIS pH 6.5 0.2M ammonium sulfate 25% (w/v) PEG3350

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