5JUC

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+_2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97933
Spacegroup name	I 41
Unit cell lengths	99.434, 99.434, 126.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.310 - 2.800
R-factor	0.1921
Rwork	0.191
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y6n
RMSD bond length	0.006
RMSD bond angle	0.734
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.320	2.641
High resolution limit [Å]	2.550	2.550
Rmerge	0.116
Number of reflections	20094
<I/σ(I)>	7.94	1.15
Completeness [%]	99.0	100
Redundancy	6.5	6.5
CC(1/2)	0.998

Crystallization Conditions

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