8TOR
ACE2-peptide 2 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 | 2020-12-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 |
| Unit cell lengths | 180.199, 180.199, 70.068 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.120 - 2.200 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.647 |
| 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] | 45.120 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 43006 | 3651 |
| <I/σ(I)> | 11.4 | 1.4 |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 10.5 | |
| CC(1/2) | 0.999 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | PEG5KMME, magnesium formate, sodium acetate |
