3VF1

Structure of a calcium-dependent 11R-lipoxygenase suggests a mechanism for Ca-regulation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97916
Spacegroup name	C 1 2 1
Unit cell lengths	114.800, 148.710, 117.330
Unit cell angles	90.00, 119.16, 90.00

Refinement procedure

Resolution	36.482 - 2.473
R-factor	0.2027
Rwork	0.202
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.598
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	MrBUMP
Refinement software	PHENIX (dev_849)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.482	36.482	2.540
High resolution limit [Å]	2.473	11.060	2.473
Rmerge		0.024	0.474
Total number of observations		1961	8631
Number of reflections	59434
<I/σ(I)>	10.1	24.4	1.5
Completeness [%]	97.1	91.2	84.6
Redundancy	3	3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	295	11-12% PEG 3350, 15% sucrose, 0.1M bis-Tris HCl, pH 7.2, vapor diffusion, hanging drop, temperature 295K