9EB0

CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE (MUTANT D211N)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9388
Spacegroup name	P 1 21 1
Unit cell lengths	39.155, 50.884, 47.195
Unit cell angles	90.00, 106.08, 90.00

Refinement procedure

Resolution	33.940 - 1.130
R-factor	0.163
Rwork	0.162
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.940	1.190
High resolution limit [Å]	1.130	1.130
Number of reflections	63981	8242
<I/σ(I)>	11.7	2.4
Completeness [%]	95.9
Redundancy	6.9
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.1 M HEPES pH 7.0, 0.075 M Calcium chloride, 19% PEG 400, 5% Glycerol