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 |