9Q8B

Ligand binding domain of the PacG chemoreceptor from Pectobacterium atrosepticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	29.620, 56.495, 83.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.750 - 1.400
R-factor	0.1975
Rwork	0.197
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.837
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]	46.750	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.069	1.867
Rmeas	0.078	2.097
Rpim	0.035	0.935
Total number of observations		6601
Number of reflections	28279	1395
<I/σ(I)>	7.6	0.7
Completeness [%]	99.7
Redundancy	4.6	4.7
CC(1/2)	0.998	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	HR II C13: 0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% w/v Polyethylene glycol monomethyl ether 2K