8CAY

PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like

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	2015-12-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	C 1 2 1
Unit cell lengths	107.100, 40.209, 103.425
Unit cell angles	90.00, 114.43, 90.00

Refinement procedure

Resolution	53.200 - 1.626
R-factor	0.1977
Rwork	0.196
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8c6r
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (21-NOV-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	1.780
High resolution limit [Å]	1.626	1.626
Rmerge	0.238	3.350
Number of reflections	50253	2610
<I/σ(I)>	5.5
Completeness [%]	99.4
Redundancy	3.8
CC(1/2)	0.700	0.110

Crystallization Conditions

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