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5SXQ

Crystal structure of B. pseudomallei KatG with isonicotinic acid hydrazide bound

Replaces:  3N3N
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2009-07-15
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 21 21 21
Unit cell lengths100.069, 113.319, 174.640
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.100
R-factor0.1542
Rwork0.152
R-free0.18730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.025
RMSD bond angle2.029
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.0602.210
High resolution limit [Å]2.1002.099
Rmerge0.0940.372
Number of reflections115660
<I/σ(I)>9.93
Completeness [%]99.496.9
Redundancy4.23.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, 0.1 M sodium citrate pH 5.6, 25 mM NaCl

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