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5SXT

Crystal structure of the S324T variant of Burkholderia pseudomallei KatG with isonicotinic acid hydrazide bound

Replaces:  3N3Q
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2009-12-09
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97949
Spacegroup nameP 21 21 21
Unit cell lengths100.220, 112.600, 173.700
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.184
Rwork0.182
R-free0.21650
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.025
RMSD bond angle2.056
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]94.4802.000
High resolution limit [Å]1.9001.900
Rmerge0.2420.900
Number of reflections154729
<I/σ(I)>4.81.8
Completeness [%]100.0100
Redundancy6.66.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, 25 mM NaCl, 0.1 M sodium citrate pH 5.6

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