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4IF2

Structure of the phosphotriesterase from Mycobacterium tuberculosis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2012-05-01
DetectorRAYONIX MX-225
Wavelength(s)1.005
Spacegroup nameC 2 2 21
Unit cell lengths68.032, 149.596, 74.230
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.362 - 2.270
R-factor0.1811
Rwork0.179
R-free0.22740
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.103
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwarePHENIX ((phenix.refine: 1.7.1_743))
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.270
Number of reflections128164
Completeness [%]99.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION72930.1M HEPES pH 7.0, 55% MPD, 150mM NaSCN, EVAPORATION, temperature 293K

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