6A2Q

Mycobacterium tuberculosis LexA C-domain I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	42.620, 42.620, 116.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.820 - 1.480
R-factor	0.15061
Rwork	0.148
R-free	0.19712
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IUMU
RMSD bond length	0.015
RMSD bond angle	1.567
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]	22.820	1.480
High resolution limit [Å]	1.480	1.480
Rmerge	0.059	0.608
Rpim	0.026	0.275
Number of reflections	21096	2992
<I/σ(I)>	14.5	14.5
Completeness [%]	99.7	99.7
Redundancy	5.9
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	Tris-Hcl, Glycerol, Pentaerythritol ethoxylate