5ONQ
Alzheimer's Amyloid-Beta Peptide Fragment 29-40 in Complex with Cd-substituted 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 | 93.488, 93.488, 129.558 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.970 - 1.170 |
| R-factor | 0.1629 |
| Rwork | 0.163 |
| R-free | 0.17160 |
| Starting model (for MR) | pdbid 1kei |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.822 |
| 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] | 46.740 | 46.740 | 1.210 |
| High resolution limit [Å] | 1.170 | 4.530 | 1.170 |
| Rmerge | 0.078 | 0.032 | 0.867 |
| Rmeas | 0.083 | 0.034 | 0.926 |
| Rpim | 0.027 | 0.012 | 0.316 |
| Total number of observations | 994505 | 18065 | 86021 |
| Number of reflections | 111781 | 2170 | 10625 |
| <I/σ(I)> | 14.6 | 51.8 | 2.1 |
| Completeness [%] | 99.6 | 98.9 | 98 |
| Redundancy | 8.9 | 8.3 | 8.1 |
| CC(1/2) | 0.999 | 0.999 | 0.734 |
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 |
