2HSA

Crystal structure of 12-oxophytodienoate reductase 3 (OPR3) from tomato

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	P 1 21 1
Unit cell lengths	57.904, 89.677, 81.378
Unit cell angles	90.00, 109.46, 90.00

Refinement procedure

Resolution	20.000 - 1.500
Rwork	0.225
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.407
Number of reflections	119739
<I/σ(I)>	26.4	2
Completeness [%]		96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES/Tris, 16% PEG8000, 50 mM Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K