3ST8

Crystal structure of GlmU from Mycobacterium tuberculosis in complex with COENZYME A, GLUCOSAMINE 1-PHOSPHATE 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	110.312, 110.312, 360.537
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.710 - 1.980
R-factor	0.1681
Rwork	0.167
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.034
RMSD bond angle	2.679
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.710		2.040
High resolution limit [Å]	1.980	8.870	1.980
Rmerge	0.053	0.021	0.307
Rmeas		0.023	0.330
Number of reflections	58849	740	4307
<I/σ(I)>	25.88	61.17	6.26
Completeness [%]	99.8	97.9	99.2
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1M Tris-Cl, pH-8.5, 2% Tacsimate, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K