4L40

Structure of the P450 OleT with a C20 fatty acid substrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	59.630, 59.630, 244.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.600 - 2.500
R-factor	0.19878
Rwork	0.195
R-free	0.26914
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1izo
RMSD bond length	0.015
RMSD bond angle	1.472
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.600
High resolution limit [Å]	2.500
Number of reflections	15317
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M magnesium chloride 0.1 M Tris, 10% w/v PEG 8K, 10% w/v PEG 1K, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K