8UIV

H47Q NicC with bound FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	183
Detector technology	PIXEL
Collection date	2022-11-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	47.468, 69.735, 115.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.820 - 1.511
R-factor	0.178
Rwork	0.176
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.388
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.820	1.565
High resolution limit [Å]	1.511	1.511
Rmerge	0.050	0.827
Number of reflections	60145	5943
<I/σ(I)>	15.69
Completeness [%]	98.6
Redundancy	3.3
CC(1/2)	0.998	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M Hepes, pH 7.5, 15-25% polyethylene glycol (PEG) 3350, and 0.2 M magnesium chloride hexahydrate