9NIA

Crystal structure of Vibrio cholerae CqsR bound to ethanolamine

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	2024-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 41 2 2
Unit cell lengths	121.811, 121.811, 70.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 1.550
R-factor	0.1843
Rwork	0.183
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.933
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.085	0.042	1.403
Rmeas	0.089	0.044	1.498
Rpim	0.025	0.012	0.515
Number of reflections	38762	2096	1899
<I/σ(I)>	5.8
Completeness [%]	100.0	99.8	100
Redundancy	12.6	12.7	8.3
CC(1/2)	0.997	0.999	0.560

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