1ICS

CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-03
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 1
Unit cell lengths	53.857, 72.027, 72.357
Unit cell angles	62.92, 85.17, 78.69

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.197 *
Rwork	0.197
R-free	0.23700
Starting model (for MR)	pdb: 1ICP
RMSD bond length	0.008
RMSD bond angle	1.390
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.038	0.136
Total number of observations	73998 *
Number of reflections	40681
<I/σ(I)>	17.1	4
Completeness [%]	96.6	89.6
Redundancy	1.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	18 *	Tris/HCl, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MOPS-KOH	10 (mM)
3	1	reservoir	Tris-HCl	100 (mM)
4	1	reservoir	ammonium sulfate	1.45 (M)
5	1	reservoir	PEG400	2 (%)