7PVL

Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 - apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.961120
Spacegroup name	P 21 21 21
Unit cell lengths	71.030, 89.909, 95.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.150 - 1.430
R-factor	0.15
Rwork	0.148
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p5l
RMSD bond length	0.005
RMSD bond angle	0.740
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]	50.000	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.066	0.767
Rmeas	0.072	0.871
Rpim	0.028	0.407
Number of reflections	113499	10985
<I/σ(I)>	17	1.8
Completeness [%]	99.9	99.7
Redundancy	6.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5; 0.2 M MgCl2; 25% PEG 3350