5MWO

Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7E8.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	121.927, 121.927, 33.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.215 - 1.962
R-factor	0.2012
Rwork	0.198
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t56
RMSD bond length	0.007
RMSD bond angle	0.835
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.930	121.930	2.070
High resolution limit [Å]	1.960	6.200	1.960
Rmerge	0.193	0.040	1.479
Rmeas	0.202	0.042	1.539
Rpim	0.056	0.012	0.424
Total number of observations	236428
Number of reflections	18535
<I/σ(I)>	11.9
Completeness [%]	98.2	100	100
Redundancy	12.8	11	12.9
CC(1/2)	0.998	0.999	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.7 to 2.1 M ammonium sulfate 0.1 M MES (pH 6 to 7) 5 to 15%(v/v) glycerol 7 to 12%(v/v) 1,4-dioxane