5MYL

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	120.659, 120.659, 33.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.559 - 1.724
R-factor	0.1842
Rwork	0.183
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t56
RMSD bond length	0.006
RMSD bond angle	0.735
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.659	42.659	1.820
High resolution limit [Å]	1.724	5.450	1.724
Rmerge		0.039	1.277
Rmeas	0.084	0.041	1.392
Rpim	0.024	0.012	0.407
Total number of observations	331256
Number of reflections	26955
<I/σ(I)>	18.7	13.1	0.6
Completeness [%]	100.0	99.8	100
Redundancy	12.3	10.9	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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