1Z8K

X-ray structure of allene oxide cyclase from Arabidopsis thaliana at3g25770

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97924, 0.97156, 0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	64.412, 100.013, 105.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.712
R-factor	0.15031
Rwork	0.149
R-free	0.18000
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.394
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.08)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.166	50.000	1.770
High resolution limit [Å]	1.710	3.680	1.710
Rmerge	0.075	0.045	0.252
Number of reflections	73976
<I/σ(I)>	19.995		5.811
Completeness [%]	100.0		99.9
Redundancy	14.1	14	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K