2ONA
MVGGVV peptide derived from Alzheimer's A-beta, residues 35-40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-18 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 |
| Unit cell lengths | 25.862, 9.699, 15.851 |
| Unit cell angles | 77.18, 74.69, 86.93 |
Refinement procedure
| Resolution | 24.940 - 2.030 |
| R-factor | 0.211 |
| Rwork | 0.202 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | polyalanine idealized beta strand |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.254 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.160 | 0.222 |
| Number of reflections | 409 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 90.2 | 94.2 |
| Redundancy | 1.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 30 mg/mL peptide in water mixed 1:1 with reservoir containing 0.02 M CaCl2, 30% MPD, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
