8VX0

CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN

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	2021-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	75.209, 141.659, 161.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 3.050
R-factor	0.1422
Rwork	0.139
R-free	0.20586
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.179
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	3.129
High resolution limit [Å]	3.050	3.050
Rpim	0.059	0.075
Number of reflections	15658	1106
<I/σ(I)>	11.3	7.5
Completeness [%]	97.7	95.28
Redundancy	7.9
CC(1/2)	0.980	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M Calcium acetate hydrate 0.1 M Tris, pH 7.5 15% w/v PEG4000