2Y3K
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 1
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 CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 9.470, 20.280, 47.690 |
| Unit cell angles | 90.21, 89.78, 103.55 |
Refinement procedure
| Resolution | 47.690 - 1.900 |
| R-factor | 0.21448 |
| Rwork | 0.214 |
| R-free | 0.23106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.327 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.690 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 2132 | |
| <I/σ(I)> | 4.6 | 1.94 |
| Completeness [%] | 82.4 | 76.8 |
| Redundancy | 1.44 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | AB3542 CRYSTALS (FIRST DISSOLVED IN WATER) WERE FOUND IN 1.5-YEAR-OLD TRAYS SET AT 0.5 MG/ML IN 1.26 M NA PHOSPHATE MONOBASIC MONOHYDRATE, 0.14 M K PHOSPHATE DIBASIC, PH 5.6 (CRYSTAL FORM I) |
