9NIT

Crystal structure of Vibrio cholerae CqsR bound to L-alaninol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-23
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	I 41 2 2
Unit cell lengths	121.024, 121.024, 70.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 1.720
R-factor	0.1836
Rwork	0.180
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.807
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]	19.690	19.690	1.780
High resolution limit [Å]	1.720	3.790	1.720
Rpim	0.028	0.010	0.334
Number of reflections	26788	2762	2139
<I/σ(I)>	7.26	70.45	1.21
Completeness [%]	95.5	98.5	76.1
Redundancy	8.7	8.8	3.4
CC(1/2)	0.999	1.000	0.670

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