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5SX1

Crystal structure of D141E variant of B. pseudomallei KatG

Replaces:  2DV1
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2006-02-22
DetectorADSC QUANTUM 4
Wavelength(s)0.933
Spacegroup nameP 21 21 21
Unit cell lengths100.739, 116.198, 175.018
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.800
R-factor0.1565
Rwork0.155
R-free0.19050
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.032
RMSD bond angle2.393
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]96.8101.850
High resolution limit [Å]1.8001.800
Number of reflections178948
<I/σ(I)>9.33.1
Completeness [%]99.294.9
Redundancy5.74.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% MPD, pH 5.6 0.1 M sodium citrate

219869

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