9NJ8

Crystal structure of apo Vibrio cholerae CqsR with D198N mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-04
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	P 31 2 1
Unit cell lengths	111.706, 111.706, 75.735
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.880 - 2.500
R-factor	0.2268
Rwork	0.217
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.556
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]	19.880	19.880	2.590
High resolution limit [Å]	2.500	5.500	2.500
Rpim	0.037	0.009	0.224
Number of reflections	19154	1861	1921
<I/σ(I)>	6.38	82.66	1.37
Completeness [%]	99.7	96.8	99.9
Redundancy	12.7	10.3	13.4
CC(1/2)	0.999	1.000	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M sodium formate, 2% glycerol