3DBM

Crystal Structure of Allene oxide synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-04-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	128.300, 128.300, 160.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 2.600
R-factor	0.219
Rwork	0.219
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dam
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	20482
<I/σ(I)>	10.5	3.2
Completeness [%]	98.0	96
Redundancy	98	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2M (NH4)H2PO4, 50%MPD, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K