8CDO

PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like

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	2021-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 3
Unit cell lengths	122.116, 122.116, 122.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.310 - 1.320
R-factor	0.148
Rwork	0.147
R-free	0.16780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.170
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (21-NOV-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.300	1.360
High resolution limit [Å]	1.320	1.320
Rmerge	0.102	3.270
Number of reflections	135341	6758
<I/σ(I)>	23.3
Completeness [%]	95.6
Redundancy	40.9
CC(1/2)	1.000	0.635

Crystallization Conditions

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