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5SYU

Crystal structure of Burkholderia pseudomallei KatG E242Q variant

Replaces:  4QZK
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2014-04-18
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths100.997, 113.675, 174.786
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.650 - 1.800
R-factor0.1409
Rwork0.139
R-free0.17250
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.027
RMSD bond angle2.272
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.2901.900
High resolution limit [Å]1.8001.800
Rmerge0.501
Number of reflections165753
<I/σ(I)>13.41.5
Completeness [%]89.1
Redundancy3.93.8
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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