2QYS

Structure of Eugenol Synthase from Ocimum basilicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.412, 86.320, 98.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.760 - 1.800
Rwork	0.224
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qx7
RMSD bond length	0.005
RMSD bond angle	1.260
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.086	0.477
Number of reflections	59871
<I/σ(I)>	9.6	2.5
Completeness [%]	95.6	73.2
Redundancy	7.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M sodium succinate, 21% PEG 3350, 0.3 M KCl, 2 mM dithiothreitol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K