8ODS

Phosphate-Binding Protein (PstS) from Xanthomonas citri pv. citri A306 bound to phosphate

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	2022-05-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	43.370, 73.137, 99.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.040 - 1.909
R-factor	0.2071
Rwork	0.205
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XSCALE (Jan 10, 2022)
Phasing software	BALBES
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.040	1.977
High resolution limit [Å]	1.909	1.909
Rmerge	0.098	0.415
Rmeas	0.100	0.467
Rpim	0.034	0.206
Number of reflections	24939	2201
<I/σ(I)>	14.73	3.01
Completeness [%]	97.6	87.58
Redundancy	8.6	4.8
CC(1/2)	0.996	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296.15	Tris-HCl (pH 8.0), 50 mM KCl, 20% PEG 6000, 20 mg/ml protein