5ONR
Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Thermolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97264 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.696, 92.696, 129.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.368 - 1.390 |
| R-factor | 0.1797 |
| Rwork | 0.179 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1kei |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.755 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.350 | 46.350 | 1.440 |
| High resolution limit [Å] | 1.390 | 5.380 | 1.390 |
| Rmerge | 0.088 | 0.042 | 1.224 |
| Rmeas | 0.092 | 0.045 | 1.307 |
| Rpim | 0.028 | 0.013 | 0.447 |
| Total number of observations | 647249 | 12701 | 52782 |
| Number of reflections | 66070 | 1270 | 6407 |
| <I/σ(I)> | 12.7 | 36.7 | 1.7 |
| Completeness [%] | 99.7 | 97.2 | 99.9 |
| Redundancy | 9.8 | 10 | 8.2 |
| CC(1/2) | 0.999 | 0.999 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6 | 293 | 50 mM MES: 45% DMSO: 0.7-0.9 M NaCl: 0-0.4 M CdCl2: reservoir solution containing 30-40% ammonium sulphate |
