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5SX2

Crystal structure of the D141E mutant of B. pseudomallei KatG at pH 8.0.

Replaces:  2DV2
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
Collection date2004-04-22
DetectorADSC QUANTUM 4
Wavelength(s)0.934
Spacegroup nameP 21 21 21
Unit cell lengths100.327, 114.824, 174.310
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.150
R-factor0.1438
Rwork0.142
R-free0.17970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.024
RMSD bond angle2.042
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.8902.200
High resolution limit [Å]2.1502.150
Number of reflections103507
<I/σ(I)>13.93.6
Completeness [%]99.196.7
Redundancy4.94.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% MPD, pH 5.6, 0.1 M sodium citrate

222036

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