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5SX6

Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5

Replaces:  2FXH
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2005-07-02
DetectorADSC QUANTUM 4
Wavelength(s)0.933
Spacegroup nameP 21 21 21
Unit cell lengths100.529, 114.795, 174.647
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.1411
Rwork0.139
R-free0.17240
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.029
RMSD bond angle2.329
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.9301.950
High resolution limit [Å]1.9001.900
Rmerge0.0750.380
Number of reflections150790
<I/σ(I)>10.85.55
Completeness [%]99.899.7
Redundancy7.47.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, pH 5.6 0.1 M sodium citrate

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