8ANI
Structure of the amyloid-forming peptide LYIQWL from Tc5b, grown from 10% ethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-26 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 11.719, 23.467, 18.762 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 18.760 - 1.350 |
| R-factor | 0.1177 |
| Rwork | 0.114 |
| R-free | 0.15220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | crystal structure of LYIQWL grown from acetonitrile/water |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.410 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.760 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmeas | 0.168 | 0.745 |
| Number of reflections | 2253 | 214 |
| <I/σ(I)> | 7 | 2.2 |
| Completeness [%] | 98.1 | |
| Redundancy | 4.93 | |
| CC(1/2) | 0.998 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION, RECRYSTALLIZATION | 293 | Peptide was dissolved in 10% ethanol at 0.5 mg/ml concentration, then incubated at 293K overnight. |
