6YJ2

Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	181.764, 52.874, 91.919
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	46.000 - 2.000
R-factor	0.1936
Rwork	0.192
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g12
RMSD bond length	0.008
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.052	0.554
Rpim	0.034	0.351
Number of reflections	59229	4355
<I/σ(I)>	12.5	2.3
Completeness [%]	99.7	99.8
Redundancy	3.4	3.5
CC(1/2)	0.998	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.22 M ammonium citrate tribasic pH 7.0, 26.4 % (w/v) polyethylene glycol (PEG) 3350