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6WYI

Crystal structure of EchA19, enoyl-CoA hydratase from Mycobacterium tuberculosis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-2
Synchrotron siteNSLS-II
Beamline17-ID-2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-19
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97934
Spacegroup nameP 3 2 1
Unit cell lengths75.413, 75.413, 68.890
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution37.710 - 1.915
R-factor0.1846
Rwork0.182
R-free0.23250
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4f47
RMSD bond length0.010
RMSD bond angle1.035
Data reduction softwareXDS
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]37.7101.983
High resolution limit [Å]1.9151.915
Rmerge0.0780.867
Rmeas0.0800.898
Rpim0.231
Number of reflections178621755
<I/σ(I)>19.4
Completeness [%]99.9
Redundancy19.3
CC(1/2)0.9990.931
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5293.150.2 M MgCl2 and 0.1 M Tris (pH 8.5) supplemented with 25% PEG3350

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