5M0P

Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	51.880, 110.120, 164.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.120 - 1.950
R-factor	0.15937
Rwork	0.157
R-free	0.20120
RMSD bond length	0.013
RMSD bond angle	1.270
Data reduction software	xia2
Data scaling software	xia2
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.120	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.057	0.842
Number of reflections	66360
<I/σ(I)>	8.6	1.8
Completeness [%]	99.6	99.8
Redundancy	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M MgCl2, 0.1 M HEPES, 20% PEG 6000, pH 7.5