8H5V

Crystal structure of the FleQ domain of Vibrio cholerae FlrA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-16
Detector	RAYONIX MX-225
Wavelength(s)	0.978930
Spacegroup name	C 1 2 1
Unit cell lengths	97.059, 66.471, 68.044
Unit cell angles	90.00, 92.51, 90.00

Refinement procedure

Resolution	33.989 - 2.000
R-factor	0.1737
Rwork	0.170
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	other
RMSD bond length	0.008
RMSD bond angle	1.203
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	28994	2154
<I/σ(I)>	12.2	1.6
Completeness [%]	98.9
Redundancy	2.8
CC(1/2)	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2 M Ammonium sulfate 0.1M bis-Tris pH 5.5