3DSI

Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	63.407, 104.851, 162.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.040 - 1.600
R-factor	0.16767
Rwork	0.167
R-free	0.18548
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3cli
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	143678
Completeness [%]	99.6	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG4000, Glycerol, Tris-HCl, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K