9EAZ

CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE (MUTANT A229T)

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	39.195, 51.209, 47.260
Unit cell angles	90.00, 105.54, 90.00

Refinement procedure

Resolution	37.760 - 1.170
R-factor	0.1616
Rwork	0.161
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.026
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]	37.760	1.230
High resolution limit [Å]	1.170	1.170
Number of reflections	59224	7722
<I/σ(I)>	11.4	2.7
Completeness [%]	97.4
Redundancy	5.7
CC(1/2)	0.998	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.1 M HEPES pH 7.0, 0.15 M Calcium chloride, 19% PEG 400, 2.5% Glycerol