6GQ5

Crystal Structure of the PSMalpha3 Peptide Mutant L15A 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	P 1 21 1
Unit cell lengths	28.410, 10.670, 29.600
Unit cell angles	90.00, 105.87, 90.00

Refinement procedure

Resolution	17.470 - 1.500
R-factor	0.1995
Rwork	0.194
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i55
RMSD bond length	0.019
RMSD bond angle	1.692
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.470	17.470	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.137	0.044	0.559
Rmeas	0.171	0.055	0.692
Number of reflections	2854	41	207
<I/σ(I)>	4.09	6.99	1.56
Completeness [%]	96.3	87.2	95
Redundancy	2.68	2.293	2.652
CC(1/2)	0.987	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.1 M CAPS pH 10.5, 40% v/v 2-Methyl-2,4-pentanediol