4ZEC

PBP AccA from A. tumefaciens C58 in complex with agrocin 84

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	2013-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	77.180, 114.170, 111.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.060 - 2.150
R-factor	0.1941
Rwork	0.192
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OUP
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.280
High resolution limit [Å]	2.147	2.147
Number of reflections	26755	4191
<I/σ(I)>	8.24
Completeness [%]	98.0	96.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	20% PEG 4K, 0.2M ACNH4, 0.1M NA CITRATE PH 5.6 , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K