4Q8D
Crystal structure of a macrocyclic beta-sheet peptide containing two beta-strands from amyloid beta residues 15-23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 32.174, 62.852, 20.094 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 17.557 - 1.746 |
| R-factor | 0.1862 |
| Rwork | 0.179 |
| R-free | 0.21970 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.512 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE (2.15) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.375 | 1.700 |
| High resolution limit [Å] | 1.634 | 1.630 |
| Rmerge | 0.059 | 0.138 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 0.1 M sodium citrate, 0.1 M ammonium acetate, 30% 2-methyl-2,4-pentanediol, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
