5JT0

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+

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	98.734, 98.734, 127.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.816 - 2.800
R-factor	0.194
Rwork	0.193
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y6n
RMSD bond length	0.007
RMSD bond angle	1.029
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]	69.820	2.569
High resolution limit [Å]	2.480	2.480
Rmerge	0.096
Number of reflections	21639
<I/σ(I)>	7.93	0.96
Completeness [%]	100.0	100
Redundancy	6.4	6.3

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