8GJD

X-ray crystallographic structure of a beta-hairpin peptide derived from Abeta 17-36. (ORN)LVFFAED(ORN)AII(N-Me-Gly)LMV

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108.15
Detector technology	PIXEL
Collection date	2017-02-08
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	68.185, 68.185, 168.564
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.300 - 2.030
R-factor	0.2442
Rwork	0.239
R-free	0.29350
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.711
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	2.103
High resolution limit [Å]	2.030	2.030
Number of reflections	37469	1806
<I/σ(I)>	35.86
Completeness [%]	99.5
Redundancy	21.2
CC(1/2)	0.981	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	HEPES Buffer, Jeffamine M-600