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5SYV

Crystal structure of Burkholderia pseudomallei KatG N240D variant

Replaces:  4QZL
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 lengths100.792, 113.296, 174.520
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.000 - 1.750
R-factor0.1601
Rwork0.159
R-free0.18970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.026
RMSD bond angle2.182
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]174.5201.840
High resolution limit [Å]1.7501.750
Rmerge0.426
Total number of observations114042
Number of reflections197628
<I/σ(I)>15.11.8
Completeness [%]98.399.9
Redundancy3.93.9
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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