9Z72

Structure of V. cholerae CapS (form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	59.173, 59.173, 426.203
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.250 - 2.380
R-factor	0.2138
Rwork	0.211
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.592
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.250	2.421
High resolution limit [Å]	2.380	2.380
Rmerge	0.157	1.654
Rmeas	0.173	1.956
Number of reflections	36315	1731
<I/σ(I)>	4.8	1.6
Completeness [%]	99.8
Redundancy	4.7
CC(1/2)	0.994	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M MgCl2, 0.1 M Bis-Tris pH 5.5, and 20% (w/v) PEG 3350