4Y9X

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

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	2013-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	I 41
Unit cell lengths	98.850, 98.850, 127.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.060 - 2.637
R-factor	0.2161
Rwork	0.214
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dec
RMSD bond length	0.004
RMSD bond angle	1.115
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.060	2.732
High resolution limit [Å]	2.637	2.637
Rmerge	0.052	0.573
Number of reflections	18052
<I/σ(I)>	12.39
Completeness [%]	99.9	98.94
Redundancy	5.7	9.1

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