6GQ2

Crystal Structure of the PSMalpha3 Peptide Mutant K12A Forming Cross-Alpha Amyloid-like Fibril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-10
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	52.940, 13.150, 25.970
Unit cell angles	90.00, 112.26, 90.00

Refinement procedure

Resolution	14.610 - 1.540
R-factor	0.2067
Rwork	0.203
R-free	0.23600
Structure solution method	AB INITIO PHASING
RMSD bond length	0.013
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.610	14.610	1.580
High resolution limit [Å]	1.540	6.880	1.540
Rmerge	0.114	0.080	0.836
Rmeas	0.142	0.098	1.032
Number of reflections	2477	29	172
<I/σ(I)>	4.83	11.54	1.2
Completeness [%]	94.1	80.6	91.5
Redundancy	2.77	2.552	2.721
CC(1/2)	0.983	0.993	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.1 M HEPES pH 7.5, 0.5 M Ammonium Sulfate, 30% v/v 2-Methyl-2,4-pentanediol