9BA6

High-resolution crystal structure of Vibrio cholerae NFeoB in the apo form

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	2024-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	53.962, 73.442, 63.027
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	39.460 - 2.380
R-factor	0.2078
Rwork	0.205
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.701
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.410	2.420
High resolution limit [Å]	2.380	2.380
Number of reflections	19722	3313
<I/σ(I)>	11.4
Completeness [%]	99.9
Redundancy	3.5
CC(1/2)	0.992	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) PEG 2000, 0.1 M Tris (pH 8.0), 5% (v/v) glycerol, 100 mM NaCl, 1 mM TCEP-HCl, 3 mM ADP