2HS8

Crystal structure of the Y364F mutant of 12-oxophytodienoate reductase 3 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)	0.9392
Spacegroup name	P 1 21 1
Unit cell lengths	49.168, 93.395, 89.453
Unit cell angles	90.00, 97.67, 90.00

Refinement procedure

Resolution	15.000 - 1.900
Rwork	0.226
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.100	0.232
Number of reflections	59726
<I/σ(I)>	11.5	3.7
Completeness [%]		91.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES/NaOH, 10% PEG8000, 0.2 M calcium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K