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5SYW

Crystal structure of Burkhoderia pseudomallei KatG variant Q233E

Replaces:  4QZN
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2014-07-09
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths101.019, 114.195, 174.668
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.850
R-factor0.1511
Rwork0.149
R-free0.18210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.025
RMSD bond angle2.151
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.5801.950
High resolution limit [Å]1.8501.850
Rmerge0.503
Total number of observations91004
Number of reflections170117
<I/σ(I)>11.11.5
Completeness [%]98.899.5
Redundancy3.63.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, 0.1 M sodium citrate pH 5.6

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