2WGS

Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-12
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	134.950, 203.180, 230.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 2.550
R-factor	0.23098
Rwork	0.230
R-free	0.24586
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hto
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.650
High resolution limit [Å]	2.550	2.550
Rmerge	0.090	0.450
Number of reflections	200628
<I/σ(I)>	12.3	3.8
Completeness [%]	97.6	95.6
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	EQUAL VOLUMES OF MOTHER LIQUOR (0.1 M SODIUM ACETATE, PH 5, 0.75 M 1,6-HEXANEDIOL) AND PROTEIN SOLUTION (10 G/L IN 0.020 M TRIS-HCL. PH 7.5, 0.15 M SODIUM CHLORIDE, 0.005 M MAGNESIUM CHLORIDE, 2%(V/V) DMSO, 0.0002 M INHIBITOR), VAPOR DIFFUSION, HANGING-DROP, TEMPERATURE 294K.