8TOU
ACE2-peptide 2 complex crystal form 3
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 | 2022-12-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.802, 196.263, 52.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.330 - 3.100 |
| R-factor | 0.2124 |
| Rwork | 0.211 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.801 |
| 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] | 49.070 | 3.320 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 17451 | 3003 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 99.3 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.993 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | DL-Glutamic acid monohydrate, DL-Alanine, Glycine; DL-Lysine, HEPES, MOPS, MPD; PEG1000, PEG 3350 |
