7LAF

15-lipoxygenase-2 loop mutant bound to imidazole-based inhibitor

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	2016-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	C 1 2 1
Unit cell lengths	189.277, 43.313, 185.070
Unit cell angles	90.00, 118.20, 90.00

Refinement procedure

Resolution	163.100 - 2.440
R-factor	0.2354
Rwork	0.234
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nre
RMSD bond length	0.008
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3908)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	163.100	2.527
High resolution limit [Å]	2.440	2.440
Number of reflections	49895	4917
<I/σ(I)>	7.32	1.18
Completeness [%]	99.3	99.78
Redundancy	2	2
CC(1/2)	0.976	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% DMSO, 20% Jeffamine M-2070