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5A5I

Cytochrome 2C9 P450 inhibitor complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF
Synchrotron siteESRF
Temperature [K]100
Spacegroup nameH 3
Unit cell lengths92.217, 92.217, 170.414
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution24.630 - 2.000
R-factor0.21409
Rwork0.212
R-free0.24501
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.017
RMSD bond angle1.900
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 Overall
Low resolution limit [Å]25.000
High resolution limit [Å]2.000
Rmerge0.080
Number of reflections27322
Completeness [%]94.7
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

238895

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