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2XFH

Structure of cytochrome P450 EryK cocrystallized with inhibitor clotrimazole.

Replaces:  2VRV
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyCCD
Collection date2010-01-21
DetectorRAYONIX
Spacegroup nameP 1
Unit cell lengths37.920, 53.680, 58.109
Unit cell angles100.27, 90.93, 94.19
Refinement procedure
Resolution42.760 - 1.900
R-factor0.18358
Rwork0.181
R-free0.23112
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2VRV
RMSD bond length0.014
RMSD bond angle1.582
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.1200.370
Number of reflections36185
<I/σ(I)>8.82.16
Completeness [%]94.084.4
Redundancy2.92.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
125% PEG 3350, 0.1M HEPES PH 7.0, 0.2M NACL

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