5MXK

Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.

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	121.199, 121.199, 33.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.599 - 1.932
R-factor	0.1863
Rwork	0.184
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t56
RMSD bond length	0.007
RMSD bond angle	0.758
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.200	121.200	2.040
High resolution limit [Å]	1.930	6.110	1.930
Rmerge	0.148	0.035	1.415
Rmeas	0.154	0.037	1.476
Rpim	0.043	0.011	0.417
Total number of observations	235062
Number of reflections	18585
<I/σ(I)>	13.7
Completeness [%]	95.0	99.9	100
Redundancy	12.6	11	12.4
CC(1/2)	0.999	1.000	0.668

Crystallization Conditions

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