1ICQ

CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH 9R,13R-OPDA

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	53.583, 72.759, 72.616
Unit cell angles	62.42, 85.19, 79.96

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.198 *
Rwork	0.198
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb: 1ICP
RMSD bond length	0.009 *
RMSD bond angle	1.440 *
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]	25.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.149
Total number of observations	99966 *
Number of reflections	54064
<I/σ(I)>	14.6	2.9
Completeness [%]	83.6	54.6
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 (%)