8CKO

PBP AccA from A.tumefaciens C58 in complex with agrocinopine C-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	2021-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	I 2 2 2
Unit cell lengths	78.680, 108.949, 113.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.510 - 1.421
R-factor	0.164
Rwork	0.162
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.100
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (21-NOV-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.510	1.530
High resolution limit [Å]	1.420	1.420
Rmerge	0.119	2.059
Number of reflections	74582	3729
<I/σ(I)>	13.1	1.5
Completeness [%]	81.5
Redundancy	13.5
CC(1/2)	0.999	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	292	PEG 4000, NH4 acetate, citrate Na