9ERV

Structure of Salmonella CapRel bound to Bas11 Gp54

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	49.695, 103.264, 209.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.130 - 2.253
R-factor	0.2011
Rwork	0.199
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.130	2.360
High resolution limit [Å]	2.250	2.250
Rmerge	0.270
Rpim	0.090
Number of reflections	22597	1611
<I/σ(I)>	9.1
Completeness [%]	90.5
Redundancy	9.4
CC(1/2)	0.987	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% PEG 1500