5JSX

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+ and uridine-diphosphate-glucose (UDP-Glc)

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	2014-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	I 41
Unit cell lengths	98.780, 98.780, 127.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.760 - 2.810
R-factor	0.1912
Rwork	0.190
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y6n
RMSD bond length	0.017
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.850	2.910
High resolution limit [Å]	2.810	2.810
Rmerge	0.063	0.481
Number of reflections	14927
<I/σ(I)>	14.52	2.6
Completeness [%]	100.0	99
Redundancy	6.5	5.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	14% PEG 8,000, 0.3-0.5 M Li sulfate