5JQX

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with phosphoglyceric acid (PGA) - GpgS*PGA

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	C 1 2 1
Unit cell lengths	138.668, 128.180, 138.444
Unit cell angles	90.00, 90.34, 90.00

Refinement procedure

Resolution	44.504 - 2.820
R-factor	0.2083
Rwork	0.207
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dec
RMSD bond length	0.002
RMSD bond angle	0.634
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.504	2.921
High resolution limit [Å]	2.820	2.820
Rmerge	0.066	0.549
Number of reflections	58106
<I/σ(I)>	10.48	2.29
Completeness [%]	99.4	99.09
Redundancy	3	2.9
CC(1/2)	0.996

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