7KVH

Human CYP3A4 bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2020-05-19
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	152.944, 94.815, 93.174
Unit cell angles	90.00, 123.73, 90.00

Refinement procedure

Resolution	39.550 - 2.791
R-factor	0.2408
Rwork	0.238
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vcc
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.550	2.940
High resolution limit [Å]	2.790	2.790
Number of reflections	27176	3895
<I/σ(I)>	5.9
Completeness [%]	98.3	96.9
Redundancy	6.2	6
CC(1/2)	0.993	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 3350, succinate