6A2T

Mycobacterium tuberculosis LexA C-domain K197A

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	2016-03-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	36.650, 66.460, 104.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.040 - 1.900
R-factor	0.24485
Rwork	0.243
R-free	0.28754
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IUMU
RMSD bond length	0.013
RMSD bond angle	1.786
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]	56.040	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.101	1.145
Rpim	0.028	0.310
Number of reflections	10404	1471
<I/σ(I)>	14.2
Completeness [%]	100.0	100
Redundancy	14
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	298	100mM HEPES 200mM magnesium chloride, 22% polyacrylic acid sodium salt