5JUD

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with uridine-diphosphate (UDP) - GpgS*UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	I 41
Unit cell lengths	100.240, 100.240, 125.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.120 - 2.590
R-factor	0.196
Rwork	0.195
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y6n
RMSD bond length	0.004
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.120	2.683
High resolution limit [Å]	2.590	2.590
Rmerge	0.054	0.783
Number of reflections	19277
<I/σ(I)>	19.98	2.59
Completeness [%]	100.0	99
Redundancy	6.8	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