8CI6

PBP AccA from A. vitis S4 in complex with D-glucose-2-phosphate (G2P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980110
Spacegroup name	P 21 21 21
Unit cell lengths	47.300, 61.060, 152.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 1.199
R-factor	0.179
Rwork	0.178
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (21-NOV-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	1.270
High resolution limit [Å]	1.199	1.200
Rmerge	0.072	0.881
Number of reflections	138637	21841
<I/σ(I)>	16.48
Completeness [%]	99.7
Redundancy	11.8
CC(1/2)	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	PEG 8000, HEPES