7KVI

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	2018-03-11
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	76.820, 102.570, 126.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.822 - 2.550
R-factor	0.2268
Rwork	0.225
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vcc
RMSD bond length	0.002
RMSD bond angle	0.531
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]	79.640	2.690
High resolution limit [Å]	2.550	2.550
Number of reflections	16474	2354
<I/σ(I)>	8.3
Completeness [%]	99.2
Redundancy	5
CC(1/2)	0.998	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	298	PEG 3350, succinate