6GHX
Alzheimer's Amyloid-Beta Peptide Fragment 31-35 in Complex with Cd-substituted Thermolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.07227 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.060, 93.060, 130.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.530 - 1.156 |
| R-factor | 0.2025 |
| Rwork | 0.202 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1kei |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.824 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.530 | 46.530 | 1.200 |
| High resolution limit [Å] | 1.160 | 4.490 | 1.160 |
| Rmerge | 0.072 | 0.042 | 2.785 |
| Rmeas | 0.074 | 0.043 | 2.874 |
| Rpim | 0.017 | 0.010 | 0.703 |
| Total number of observations | 1989653 | 40377 | 182165 |
| Number of reflections | 114872 | 2262 | 11105 |
| <I/σ(I)> | 17.2 | 64.2 | 0.8 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 17.3 | 17.9 | 16.4 |
| CC(1/2) | 0.999 | 0.998 | 0.465 |
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 |
