8CJU

PBP AccA from A. vitis S4 in complex with agrocin84

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 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	47.010, 60.740, 151.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.890 - 1.349
R-factor	0.2193
Rwork	0.218
R-free	0.24380
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	FFT
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.890	1.430
High resolution limit [Å]	1.350	1.350
Rmerge	0.068	1.065
Number of reflections	96419	15219
<I/σ(I)>	16.86
Completeness [%]	99.7
Redundancy	13
CC(1/2)	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	PEG 8000, Tris-HCl