9Q8E

Dimeric crystallization of the ligand binding domain of the PacG chemoreceptor from Pectobacterium atrosepticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.89
Spacegroup name	P 1 21 1
Unit cell lengths	29.492, 57.526, 84.003
Unit cell angles	90.00, 90.99, 90.00

Refinement procedure

Resolution	83.990 - 1.800
R-factor	0.1811
Rwork	0.179
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.990	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.122	1.330
Rmeas	0.171	1.805
Rpim	0.090	1.208
Number of reflections	25618	1523
<I/σ(I)>	5.9
Completeness [%]	98.1
Redundancy	3.5	3.5
CC(1/2)	0.993	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7	293	HR II C14: 0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate