6F32

Crystal structure of a dual function amine oxidase/cyclase in complex with substrate analogues

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 41 21 2
Unit cell lengths	125.504, 125.504, 156.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.800
R-factor	0.238
Rwork	0.237
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	3.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.054	0.563
Rmeas	0.058	0.605
Number of reflections	35009	5780
<I/σ(I)>	22.37	3.82
Completeness [%]	99.9	100
Redundancy	7.35	7.466
CC(1/2)	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	15% PEG 8000, 160 mM calcium acetate, 20% glycerol, 80 mM sodium cacodylate, pH 6.5