7QOQ

Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UMP and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.87261
Spacegroup name	P 21 21 21
Unit cell lengths	71.076, 90.377, 96.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 1.930
R-factor	0.1782
Rwork	0.176
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pvl
RMSD bond length	0.007
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	2.030
High resolution limit [Å]	1.930	1.930
Rmerge	0.195	1.106
Rmeas	0.217	1.251
Rpim	0.094	0.573
Number of reflections	46655	5966
<I/σ(I)>	7.9	0.441
Completeness [%]	98.1	87.3
Redundancy	5.1	4.3
CC(1/2)	0.989	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris pH 8.5; 0.2 M MgCl2; 25% PEG 3350