9EAY

CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE (MUTANT H183Y)

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)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	39.005, 50.815, 46.666
Unit cell angles	90.00, 107.08, 90.00

Refinement procedure

Resolution	37.290 - 1.500
R-factor	0.1695
Rwork	0.168
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.913
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]	37.290	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	27784	3945
<I/σ(I)>	8	1.5
Completeness [%]	99.0	97.8
Redundancy	6.2	5.9
CC(1/2)	0.998	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.1 M HEPES pH 7.0, 0.05 M Calcium chloride, 19% PEG 400, 20% Glycerol