6H1U

GlnH bound to Asp, 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 PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	48.980, 81.880, 88.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.801 - 1.680
R-factor	0.1737
Rwork	0.172
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v25
RMSD bond length	0.007
RMSD bond angle	0.848
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]	59.930	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.058
Rmeas	0.071
Rpim	0.029
Number of reflections	41100
<I/σ(I)>	16.3
Completeness [%]	100.0
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES pH6, 0.2M MgCl2, 20% PEG 6000, 10 mM sodium aspartate