8TOQ
ACE2-peptide 1 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 | 180.281, 180.281, 71.646 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.550 - 2.300 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.587 |
| 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] | 45.550 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 38423 | 3733 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.8 | 98 |
| Redundancy | 10.8 | 10.8 |
| CC(1/2) | 0.998 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG5KMME, magnesium formate, sodium acetate 4.0 |
