6HO7

TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44814

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	120.967, 120.967, 33.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.550 - 2.500
R-factor	0.1831
Rwork	0.180
R-free	0.23670
RMSD bond length	0.009
RMSD bond angle	1.586
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.700	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.146	0.859
Number of reflections	9145	1280
<I/σ(I)>	14	3.3
Completeness [%]	99.7	98.4
Redundancy	10.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	293	1.4-1.6 ammonium sulfate, 15% glycerol, 100 mM MES