2RCH

Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.85 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	63.552, 105.336, 162.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.390 - 1.850
R-factor	0.17262
Rwork	0.171
R-free	0.20477
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2PHQ
RMSD bond length	0.013
RMSD bond angle	1.357
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	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	93014
Completeness [%]	99.1	97

Crystallization Conditions

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