6H2T

GlnH bound to Glu, Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	47.760, 81.070, 87.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.937 - 1.670
R-factor	0.1627
Rwork	0.162
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h1u
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_2722)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.600	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.093
Rpim	0.064
Number of reflections	40218
<I/σ(I)>	9.9
Completeness [%]	99.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES pH 6, 0.2 M MgCl2, 10 mM sodium glutamate, 20% PEG 6000