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2XBK

X-ray structure of the substrate-bound cytochrome P450 PimD - a polyene macrolide antibiotic pimaricin epoxidase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]110
Detector technologyCCD
Collection date2009-07-15
DetectorADSC QUANTUM 315
Spacegroup nameC 1 2 1
Unit cell lengths99.920, 99.690, 58.505
Unit cell angles90.00, 111.92, 90.00
Refinement procedure
Resolution67.880 - 1.950
R-factor0.15286
Rwork0.150
R-free0.21396
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2x9p
RMSD bond length0.025
RMSD bond angle1.985
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]17.0102.060
High resolution limit [Å]1.9501.950
Rmerge0.0700.520
Number of reflections38650
<I/σ(I)>102.3
Completeness [%]99.8100
Redundancy4.14.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
172960.2 M SODIUM MALONATE, PH 7.0; 20% PEG 3330, T=23 C

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