5EK8

Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91736, 1.03663
Spacegroup name	P 64 2 2
Unit cell lengths	121.166, 121.166, 234.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.763 - 2.700
R-factor	0.201
Rwork	0.199
R-free	0.24620
Structure solution method	SIRAS
RMSD bond length	0.004
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	30.000	2.800
High resolution limit [Å]	2.700	20.000	2.700
Rmerge	0.087		0.675
Rmeas	0.091		0.824
Total number of observations	158532
Number of reflections	28631
<I/σ(I)>	19.6		1.79
Completeness [%]	99.7		99.9
Redundancy	5.5		4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	40% pentaerythritol propoxylate (5/4 PO/OH), 0.14 M KCl and 50 mM HEPES