6A2R

Mycobacterium tuberculosis LexA C-domain II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-19
Detector	MAR CCD 130 mm
Wavelength(s)	1.54179
Spacegroup name	P 31
Unit cell lengths	74.830, 74.830, 116.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.410 - 2.250
R-factor	0.21932
Rwork	0.218
R-free	0.23822
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IUMU
RMSD bond length	0.012
RMSD bond angle	1.443
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.220	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.202	0.912
Rpim	0.090	0.401
Number of reflections	34497	5017
<I/σ(I)>	8.9	8.9
Completeness [%]	100.0	100
Redundancy	6.3
CC(1/2)	0.986	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	298	100mM Tris-Hcl, 200mM megnesium chloride, 5% glycerol, 25%PEG 3350