6NCF

The structure of Stable-5-Lipoxygenase bound to AKBA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	76.870, 203.720, 110.440
Unit cell angles	90.00, 109.71, 90.00

Refinement procedure

Resolution	50.000 - 2.871
R-factor	0.2776
Rwork	0.275
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.749
Data reduction software	xia2
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.12rc2_2821)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.970	103.970	2.930
High resolution limit [Å]	2.870	13.760	2.870
Rmerge	0.252	0.044	1.035
Rmeas	0.294	0.053	1.233
Rpim	0.150	0.028	0.662
Total number of observations	267705
Number of reflections	70741	616	3776
<I/σ(I)>	5.5
Completeness [%]	97.0	89.8	79.7
Redundancy	3.8	3.6	3.2
CC(1/2)	0.982	0.998	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	8-12% Tacsimate pH 6.0