3FOD
AILSST segment from Islet Amyloid Polypeptide
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 |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 9.542, 86.654, 19.482 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.400 |
| R-factor | 0.22594 |
| Rwork | 0.222 |
| R-free | 0.26542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ideal beta strand |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.788 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.310 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.158 | 0.356 |
| Number of reflections | 5268 | |
| <I/σ(I)> | 8 | 2 |
| Completeness [%] | 84.5 | 85.5 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 298 | reservoir contained 0.2M magnesium nitrate, 20% PEG3350, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
