8CH2

PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.983997
Spacegroup name	P 21 21 21
Unit cell lengths	47.080, 61.030, 152.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.140 - 1.404
R-factor	0.1741
Rwork	0.173
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.160
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]	50.000	1.490
High resolution limit [Å]	1.400	1.400
Rmerge	0.045	0.881
Number of reflections	86791	13746
<I/σ(I)>	30.57
Completeness [%]	99.8
Redundancy	6.24
CC(1/2)	1.000	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	PEG 8000, HEPES