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5SX7

Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5

Replaces:  2FXJ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]100
Detector technologyCCD
Collection date2005-04-28
DetectorMARRESEARCH
Wavelength(s)0.9795
Spacegroup nameP 21 21 21
Unit cell lengths100.413, 114.948, 173.998
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.950
R-factor0.153
Rwork0.151
R-free0.18850
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.025
RMSD bond angle2.101
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.9102.000
High resolution limit [Å]1.9501.950
Rmerge0.0990.480
Number of reflections126909
<I/σ(I)>7.92.41
Completeness [%]91.195
Redundancy4.84.6
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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