6GQC

Crystal Structure of the PSMalpha3 Peptide Mutant G16A Forming Cross-Alpha Amyloid-like Fibril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	C 1 2 1
Unit cell lengths	53.270, 13.300, 25.800
Unit cell angles	90.00, 111.91, 90.00

Refinement procedure

Resolution	14.670 - 1.400
R-factor	0.1548
Rwork	0.151
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i55
RMSD bond length	0.011
RMSD bond angle	1.385
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]	14.670	14.670	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.124	0.101	0.754
Rmeas	0.135	0.114	0.822
Number of reflections	3478	46	267
<I/σ(I)>	8.13	14.79	2.28
Completeness [%]	99.0	90.2	100
Redundancy	6.302	5.37	6.131
CC(1/2)	0.994	0.996	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 0.1 M sodium acetate pH 4.6, 0.01 M Cobalt chloride, 1.0 M 1,6-Hexanediol with cryo protection of 20% ethylene glycol