2R2G

Structure of Eugenol Synthase from Ocimum basilicum complexed with EMDF

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	2006-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	53.763, 86.197, 76.933
Unit cell angles	90.00, 107.40, 90.00

Refinement procedure

Resolution	44.090 - 1.800
Rwork	0.248
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyc
RMSD bond length	0.006
RMSD bond angle	1.280
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.151	44.150	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.109	0.065	0.341
Total number of observations		6938	16217
Number of reflections	57391
<I/σ(I)>	4.5	7.7	2.1
Completeness [%]	92.1	96.4	82.6
Redundancy	2.9	3.5	2.2

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, 5 mM NADP+, pH 5.5, vapor diffusion, hanging drop, temperature 277K