5MEF

Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F

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	CCD
Collection date	2014-12-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	54.400, 166.260, 166.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.204 - 2.357
R-factor	0.192
Rwork	0.191
R-free	0.21620
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5med
RMSD bond length	0.008
RMSD bond angle	0.707
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.210		2.460
High resolution limit [Å]	2.357	50.000	2.357
Rmerge	0.041		0.533
Number of reflections	62963
<I/σ(I)>	18.51		2.7
Completeness [%]	99.2		99.5
Redundancy	3.8
CC(1/2)	0.999		0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	15% PEG 4000, 12% glycerol, 0.1 M MES/imidazole pH 6.1