6HO4

TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693

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	121.935, 121.935, 33.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.220 - 1.600
R-factor	0.18334
Rwork	0.182
R-free	0.20469
RMSD bond length	0.013
RMSD bond angle	1.887
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.220	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.071	0.523
Number of reflections	34085	4802
<I/σ(I)>	20.3	5.1
Completeness [%]	99.8	98.5
Redundancy	12.5	10

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