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7NGK

Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2018-05-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9795
Spacegroup nameP 41 21 2
Unit cell lengths121.164, 121.164, 33.693
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.870 - 1.890
R-factor0.2001
Rwork0.199
R-free0.22240
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5nio
RMSD bond length0.016
RMSD bond angle1.757
Data reduction softwarepointless
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.0901.940
High resolution limit [Å]1.5301.890
Number of reflections206721274
<I/σ(I)>16.42
Completeness [%]100.0
Redundancy12.5
CC(1/2)0.9990.735
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP300PEG based

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