4IVH
Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 45.085, 45.085, 29.247 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.260 - 1.770 |
| R-factor | 0.22759 |
| Rwork | 0.224 |
| R-free | 0.27056 |
| Structure solution method | SAD |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
| Rmerge | 0.123 | 0.117 | 0.456 |
| Number of reflections | 1909 | ||
| <I/σ(I)> | 22 | ||
| Completeness [%] | 99.0 | 93.1 | 100 |
| Redundancy | 20 | 16.1 | 17.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.5M Sodium citrate tribasic dihydrate, 35% tert-butanol, 1% PEG 3350 98K, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
