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4C6W

Crystal structure of M. tuberculosis C171Q KasA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyCCD
Collection date2011-09-22
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths74.180, 89.050, 183.470
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution91.730 - 1.700
R-factor0.1441
Rwork0.143
R-free0.17030
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2wgg
RMSD bond length0.019
RMSD bond angle1.824
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.8901.790
High resolution limit [Å]1.7001.700
Rmerge0.0900.560
Number of reflections134076
<I/σ(I)>10.52.3
Completeness [%]100.0100
Redundancy4.14.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.50.1 M HEPES PH 7.5, 40% PEG 200

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