8VZ7

Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug 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 EIGER2 S 16M
Wavelength(s)	0.97
Spacegroup name	I 2 2 2
Unit cell lengths	74.890, 142.170, 163.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.530
R-factor	0.15423
Rwork	0.151
R-free	0.21531
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.052
Data reduction software	iMOSFLM
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	2.600
High resolution limit [Å]	2.530	2.530
Rpim	0.038	0.121
Number of reflections	29365	2072
<I/σ(I)>	12.8	5.2
Completeness [%]	99.8	99.9
Redundancy	5.8
CC(1/2)	0.996	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.3M Sodium Acetate Trihydrate 0.1 M Tris pH 7.5 25% w/v PEG 2000 MME