7QIB

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

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)	0.979340
Spacegroup name	P 21 21 21
Unit cell lengths	70.045, 89.957, 95.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 1.600
R-factor	0.1751
Rwork	0.174
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pvl
RMSD bond length	0.006
RMSD bond angle	0.781
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]	47.800	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.064	1.240
Rmeas	0.071	1.376
Rpim	0.030	0.589
Number of reflections	80077	11135
<I/σ(I)>	13.6	1.4
Completeness [%]	99.3	95.7
Redundancy	5.4	5.3
CC(1/2)	0.999	0.594

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