8TOS
ACE2-peptide 6 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 |
| Unit cell lengths | 179.566, 179.566, 70.252 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.080 - 2.350 |
| R-factor | 0.1828 |
| Rwork | 0.182 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.671 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.080 | 2.440 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 34882 | 40092 |
| <I/σ(I)> | 10.9 | 1.8 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 10.9 | 11 |
| CC(1/2) | 0.998 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | PEG5KMME, magnesium formate, sodium acetate |
