8T84

Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P -1
Unit cell lengths	9.420, 11.220, 21.120
Unit cell angles	96.56, 89.57, 94.95

Refinement procedure

Resolution	20.981 - 1.101
Rwork	0.189
R-free	0.20380
Structure solution method	AB INITIO PHASING
RMSD bond length	0.018
RMSD bond angle	1.928
Data reduction software	XDS (20220820)
Data scaling software	XSCALE (20220110)
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.981	20.981	1.160
High resolution limit [Å]	1.100	3.480	1.100
Rmerge	0.174	0.128	1.897
Rmeas	0.186	0.136	2.090
Number of reflections	2980	108	224
<I/σ(I)>	4.88
Completeness [%]	85.8
Redundancy	6.5
CC(1/2)	0.995	0.998	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	hexafluoroisopropanol, water