8GK3

Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	114.516, 219.381, 130.447
Unit cell angles	90.00, 102.17, 90.00

Refinement procedure

Resolution	39.940 - 2.600
R-factor	0.2105
Rwork	0.210
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.261
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.940	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.115
Rpim	0.046	0.878
Number of reflections	190994	27624
<I/σ(I)>	10.3
Completeness [%]	99.1
Redundancy	7
CC(1/2)	0.999	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	298	20% (w/v) PEG 3350, 0.2 M Lithium acetate dihydrate, pH 7.9