6NS2

Crystal structure of fungal lipoxygenase from Fusarium graminearum. P212121 crystal form.

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	PIXEL
Collection date	2014-10-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.7413
Spacegroup name	P 21 21 21
Unit cell lengths	90.489, 95.060, 189.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.580 - 2.790
R-factor	0.20763
Rwork	0.205
R-free	0.24943
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rde
RMSD bond length	0.004
RMSD bond angle	1.314
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.580	2.940
High resolution limit [Å]	2.790	2.790
Rpim	0.072	0.395
Number of reflections	40654	5781
<I/σ(I)>	8.2	2.2
Completeness [%]	98.5	97.9
Redundancy	6.2	6.2
CC(1/2)	0.993	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	10% PEG3350, 0.05 M proline, 0.1 M imidazole acetate