1ICP

CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH PEG400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-28
Detector	MARRESEARCH
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	53.391, 71.323, 71.525
Unit cell angles	63.71, 83.85, 77.36

Refinement procedure

Resolution	22.900 - 1.900
R-factor	0.182 *
Rwork	0.182
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb: 1OYA
RMSD bond length	0.007
RMSD bond angle	23.800 *
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	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.049	0.343
Total number of observations	101396 *
Number of reflections	66928
<I/σ(I)>	13.1	1.9
Completeness [%]	91.8	88.5
Redundancy	1.7	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	18 *	Tris/HCl, ammonium sulfate, PEG400, 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 (%)