3SPT

Crystal structure of GlmU from Mycobacterium tuberculosis in complex with ACETYL COENZYME A and URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE

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	2011-01-29
Detector	MARCCD 225
Wavelength(s)	0.97625
Spacegroup name	H 3 2
Unit cell lengths	110.194, 110.194, 361.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.680 - 2.330
R-factor	0.19291
Rwork	0.192
R-free	0.22359
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dj4
RMSD bond length	0.026
RMSD bond angle	2.353
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.808		2.390
High resolution limit [Å]	2.330	10.420	2.330
Rmerge	0.054	0.023	0.359
Rmeas		0.025	0.387
Number of reflections	36542	467	2635
<I/σ(I)>	24.88	58.98	5.05
Completeness [%]	99.8	97.7	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop	8.5	291	0.1M Tris-Cl, pH-8.5, 2% Tacsimate, 18% PEG 3350, sitting drop, temperature 291K