9NIV

Crystal structure of Vibrio cholerae CqsR bound to serinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-22
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	I 41 2 2
Unit cell lengths	121.139, 121.139, 70.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.640 - 1.750
R-factor	0.1875
Rwork	0.185
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.924
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.640	21.640	1.810
High resolution limit [Å]	1.750	3.850	1.750
Rpim	0.030	0.009	0.339
Number of reflections	26724	2652	2626
<I/σ(I)>	7.32	74.09	1.57
Completeness [%]	99.7	98.9	97.9
Redundancy	8.8	8.7	3.6
CC(1/2)	0.999	1.000	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	1.8 M lithium chloride, 0.1 M bicine pH 9.0, 10% PEG 6000