3DSJ

Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD 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)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	63.441, 105.021, 162.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.040 - 1.600
R-factor	0.17046
Rwork	0.169
R-free	0.19043
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3cli
RMSD bond length	0.011
RMSD bond angle	1.286
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	1.640
High resolution limit [Å]	1.600	1.600
Number of reflections	143685
Completeness [%]	99.7	94.9

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