5MEG

Manganese-substituted Cyanothece lipoxygenase 2 (Mn-CspLOX2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.82656
Spacegroup name	P 21 21 21
Unit cell lengths	54.420, 165.590, 167.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.263 - 2.000
R-factor	0.1829
Rwork	0.182
R-free	0.20510
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5med
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.263		2.100
High resolution limit [Å]	2.000	50.000	2.000
Rmerge	0.070		0.791
Number of reflections	102444
<I/σ(I)>	14.96		1.74
Completeness [%]	99.3		99.2
Redundancy	4.4
CC(1/2)	0.999		0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	12.5% PEG 4000, 8% glycerol, 600 mM NaCl, 0.1 M MES/imidazole pH 6.1