8UF3

Structure of cytochrome c4 from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	I 2 3
Unit cell lengths	168.047, 168.047, 168.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.610 - 2.450
R-factor	0.2056
Rwork	0.204
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q2u
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.610	2.550
High resolution limit [Å]	2.450	2.450
Rmeas	0.312	3.074
Rpim	0.068	0.654
Number of reflections	29063	2875
<I/σ(I)>	7.8
Completeness [%]	100.0	100
Redundancy	21.2	22
CC(1/2)	0.995	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	2.2 M magnesium sulfate, 0.1 M MES, pH 6.5