9EB1

CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE (MUTANT T142A)

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	2024-01-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9151
Spacegroup name	P 1 21 1
Unit cell lengths	39.208, 50.490, 47.239
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	37.740 - 1.100
R-factor	0.1513
Rwork	0.151
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.162
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]	37.740	1.160
High resolution limit [Å]	1.100	1.100
Number of reflections	68070	9020
<I/σ(I)>	6.3	2.1
Completeness [%]	94.8
Redundancy	2.2
CC(1/2)	0.997	0.890

Crystallization Conditions

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