8B9V

Crystal structure of Lu AF82422 in complex with alpha-synuclein 110-120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	132.460, 59.050, 69.080
Unit cell angles	90.00, 106.66, 90.00

Refinement procedure

Resolution	44.330 - 2.160
R-factor	0.1992
Rwork	0.197
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vyr 2rcj 4np4
RMSD bond length	0.007
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.330	2.300
High resolution limit [Å]	2.160	2.160
Rmerge	0.103	0.934
Number of reflections	27590	4558
<I/σ(I)>	8.8	1.2
Completeness [%]	99.8	99.9
Redundancy	3.4	3.3
CC(1/2)	0.996	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.1 M Tris pH 8.0, 2 mM ZnCl2, 18% w/v PEG 6000