2Y3L
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2
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 | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 9.470, 47.590, 20.800 |
| Unit cell angles | 90.00, 103.57, 90.00 |
Refinement procedure
| Resolution | 23.800 - 2.100 |
| R-factor | 0.20435 |
| Rwork | 0.202 |
| R-free | 0.24699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.896 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0085) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.800 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.140 | 0.430 |
| Number of reflections | 896 | |
| <I/σ(I)> | 2.54 | 1.55 |
| Completeness [%] | 88.9 | 88.3 |
| Redundancy | 1.9 | 1.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | AB3542 CRYSTALS (FIRST DISSOLVED IN WATER) WERE FOUND IN 1.5-YEAR-OLD TRAYS SET AT 0.5 MG/ML IN 0.1 M HEPES PH 7.5, 0.5 M MG FORMATE (CRYSTAL FORM II) |
