6MJM

Substrate Free Cytochrome P450 3A5 (CYP3A5)

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	2018-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	75.670, 100.690, 136.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.274 - 2.200
R-factor	0.2112
Rwork	0.209
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tqn
RMSD bond length	0.005
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.890	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	26713	1940
<I/σ(I)>	34.47	3.87
Completeness [%]	99.8	98.9
Redundancy	9.7	9.7
CC(1/2)	1.000	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	PEG 3350, ADA, Anapoe 20