6VU4

Structure of a beta-hairpin peptide mimic derived from Abeta 14-36

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	170
Detector technology	CCD
Collection date	2017-09-08
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	F 4 3 2
Unit cell lengths	96.880, 96.880, 96.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.220 - 2.077
R-factor	0.2266
Rwork	0.222
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w4h
RMSD bond length	0.003
RMSD bond angle	1.036
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.220	2.160
High resolution limit [Å]	2.077	2.077
Number of reflections	94127	8323
<I/σ(I)>	22.2
Completeness [%]	100.0
Redundancy	35.7
CC(1/2)	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1 M HEPES buffer at pH 7.2, 0.2 M sodium citrate, and 25% isopropanol