4IDB

Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-28
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	70.258, 70.258, 174.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 1.550
R-factor	0.147
Rwork	0.146
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4idc
RMSD bond length	0.017
RMSD bond angle	1.956
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.650
High resolution limit [Å]	1.550	10.000	1.550
Rmerge	0.055	0.012	0.781
Rmeas		0.013	0.824
Number of reflections	64320	285	10774
<I/σ(I)>	24.39	68.44	3.3
Completeness [%]	99.8	92.5	99.5
Redundancy	9.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	21-16% (w/v) PEG3350, 0.2M Li2SO4, 0.1M Tris/HCl pH 7.0-8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K