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5SXR

Crystal structure of B. pseudomallei KatG with NAD bound

Replaces:  3N3O
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2009-05-20
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97949
Spacegroup nameP 21 21 21
Unit cell lengths100.580, 114.920, 174.480
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.690
R-factor0.1407
Rwork0.139
R-free0.16460
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1MWV
RMSD bond length0.029
RMSD bond angle2.474
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0151)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.9701.780
High resolution limit [Å]1.6901.690
Rmerge0.0840.370
Number of reflections225305
<I/σ(I)>10.32.1
Completeness [%]99.9100
Redundancy5.15
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29316-20% PEG 4000, 20% MPD, 25 mM NaCl, 0.1 M sodium citrate, pH 5.6

218853

数据于2024-04-24公开中

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