5VEU

Human Cytochrome P450 3A5 (CYP3A5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.106965
Spacegroup name	P 21 21 21
Unit cell lengths	148.988, 198.384, 234.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.155 - 2.910
R-factor	0.2159
Rwork	0.214
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nxu
RMSD bond length	0.005
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.160	2.960
High resolution limit [Å]	2.910	2.910
Rmerge	0.040	0.427
Rpim	0.023	0.277
Number of reflections	152197	7276
<I/σ(I)>	17	1.7
Completeness [%]	99.7	96.9
Redundancy	3.9	3.1
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	PEG 3350, PEG 300, ADA, zinc sulfate