7KVO

Human CYP3A4 bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2020-10-18
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	92.882, 98.084, 126.772
Unit cell angles	90.00, 92.98, 90.00

Refinement procedure

Resolution	49.040 - 2.650
R-factor	0.2437
Rwork	0.241
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vcc
RMSD bond length	0.003
RMSD bond angle	0.570
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]	49.040	2.790
High resolution limit [Å]	2.650	2.650
Number of reflections	33059	4799
<I/σ(I)>	12.3
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.390

Crystallization Conditions

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