5ONP
Alzheimer's Amyloid-Beta Peptide Fragment 1-40 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 | 93.412, 93.412, 130.149 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.626 - 1.340 |
| R-factor | 0.1619 |
| Rwork | 0.161 |
| R-free | 0.17990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1kei |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.837 |
| 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] | 43.960 | 43.960 | 1.390 |
| High resolution limit [Å] | 1.340 | 5.190 | 1.340 |
| Rmerge | 0.090 | 0.045 | 1.042 |
| Rmeas | 0.096 | 0.048 | 1.103 |
| Rpim | 0.031 | 0.016 | 0.354 |
| Total number of observations | 692311 | 12194 | 65446 |
| Number of reflections | 74000 | 1422 | 7010 |
| <I/σ(I)> | 12.5 | 36.3 | 2 |
| Completeness [%] | 98.3 | 95.1 | 96.8 |
| Redundancy | 9.4 | 8.6 | 9.3 |
| CC(1/2) | 0.998 | 0.997 | 0.689 |
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 |
