9PSD

High-resolution crystal structure of Vibrio cholerae NFeoB bound to GDP-AlF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	54.238, 59.077, 89.634
Unit cell angles	94.44, 92.37, 113.53

Refinement procedure

Resolution	32.720 - 2.000
R-factor	0.1903
Rwork	0.188
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.961
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.520	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	62735	3300
<I/σ(I)>	4
Completeness [%]	91.9	97.1
Redundancy	3.4
CC(1/2)	0.986	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25 % (w/v) PEG3350, 0.1 M HEPES, pH 7.5, 0.5 mM GDP, 5 mM magnesium chloride, 5 mM sodium fluoride, 0.5 mM aluminum trichloride