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2VCF

Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date2005-07-25
DetectorADSC CCD
Spacegroup nameP 42 21 2
Unit cell lengths82.243, 82.243, 74.965
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution26.010 - 1.800
R-factor0.156
Rwork0.154
R-free0.18800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1oaf
RMSD bond length0.012
RMSD bond angle1.234
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareREFMAC
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.1101.900
High resolution limit [Å]1.8001.800
Rmerge0.0900.380
Number of reflections24461
<I/σ(I)>17.44.7
Completeness [%]100.0100
Redundancy6.97.09
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.32.5M LISO4 PH 8.3

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