7KVJ

Human CYP3A4 bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-02-17
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	75.809, 100.450, 124.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.506 - 2.650
R-factor	0.2273
Rwork	0.225
R-free	0.28000
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]	78.170	2.790
High resolution limit [Å]	2.650	2.650
Number of reflections	13659	1996
<I/σ(I)>	7.4
Completeness [%]	97.1
Redundancy	3.8
CC(1/2)	0.998	0.320

Crystallization Conditions

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