7P97

Structure of 3-phospho-D-glycerate guanylyltransferase with product 3-GPPG bound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	57.090, 57.090, 228.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.490 - 2.350
Rwork	0.186
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bwg
RMSD bond length	0.012
RMSD bond angle	1.822
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.350	2.350
Rmeas	0.489	1.898
Number of reflections	18963	31546
<I/σ(I)>	5.4	1.3
Completeness [%]	99.9	99.4
Redundancy	10.1	10.6
CC(1/2)	0.975	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	10% PEG 3000, 200 mm MgCl2, 100 mm sodium cacodylate pH 6.5