8CAW

PBP AccA from A. tumefaciens Bo542 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	2015-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98010
Spacegroup name	C 1 2 1
Unit cell lengths	104.124, 51.093, 102.087
Unit cell angles	90.00, 109.09, 90.00

Refinement procedure

Resolution	18.380 - 1.256
R-factor	0.1703
Rwork	0.169
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.220
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]	49.200	1.270
High resolution limit [Å]	1.256	1.256
Rmerge	0.069	1.910
Number of reflections	436693	3461
<I/σ(I)>	9.5
Completeness [%]	91.8
Redundancy	3.9
CC(1/2)	0.998	0.157

Crystallization Conditions

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