6HO5

TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719

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	120.890, 120.890, 33.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.740 - 2.300
R-factor	0.20956
Rwork	0.207
R-free	0.25126
RMSD bond length	0.008
RMSD bond angle	1.453
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.740	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.266	1.166
Number of reflections	11677	1827
<I/σ(I)>	14.7	2.8
Completeness [%]	99.9	99.7
Redundancy	12.4	13.1

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