8QDR

Vitis vinifera dimeric 13S-lipoxygenase LOXA in a detergent bound open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	85.905, 105.818, 88.533
Unit cell angles	90.00, 92.84, 90.00

Refinement procedure

Resolution	40.795 - 2.000
R-factor	0.176
Rwork	0.174
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.067	0.605
Number of reflections	106427	10568
<I/σ(I)>	9
Completeness [%]	99.8	99.9
Redundancy	5.2
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris pH 9.2, 26.4% PEG4000