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5L02

S324T variant of B. pseudomallei KatG

Replaces:  1X7U
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date2004-07-17
DetectorMARRESEARCH
Wavelength(s)0.931
Spacegroup nameP 21 21 21
Unit cell lengths100.502, 114.630, 174.925
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.900
R-factor0.1746
Rwork0.173
R-free0.21100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.027
RMSD bond angle2.189
Data reduction softwareDENZO
Data scaling softwareSCALA
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.8801.940
High resolution limit [Å]1.9001.900
Rmerge0.0790.600
Number of reflections149064
<I/σ(I)>10.51.7
Completeness [%]95.9100
Redundancy3.73.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29816-20% PEG 4000, 20% MPD, 0.1 M SODIUM CITRATE, PH 5.6

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