8C6W

PBP AccA from A. tumefaciens Bo542 in apoform 1

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	2020-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	91.723, 100.568, 116.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.030 - 2.800
R-factor	0.2295
Rwork	0.228
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.760
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.343	1.622
Number of reflections	27072	1963
<I/σ(I)>	7.3
Completeness [%]	85.7
Redundancy	12
CC(1/2)	0.994	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	PEG 4000, Tris-HCl