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5SX3

Crystal structure of the catalase-peroxidase KatG of B. pseudomaallei at pH 4.5

Replaces:  2FXG
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2005-07-03
DetectorADSC QUANTUM 4
Wavelength(s)0.933
Spacegroup nameP 21 21 21
Unit cell lengths101.049, 114.847, 174.704
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.1632
Rwork0.162
R-free0.19560
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.023
RMSD bond angle2.003
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.9702.070
High resolution limit [Å]2.0002.000
Rmerge0.0750.545
Number of reflections128889
<I/σ(I)>10.81.91
Completeness [%]98.889.4
Redundancy3.63
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG, 20% MPD, pH 5.6 0.1 M sodium citrate

222036

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