9RVT
ACE2 extracellular domain in complex with the macrocyclic peptide GR1.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 114.234, 77.448, 153.688 |
| Unit cell angles | 90.00, 101.22, 90.00 |
Refinement procedure
| Resolution | 69.070 - 2.390 |
| R-factor | 0.2496 |
| Rwork | 0.249 |
| R-free | 0.29840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (10-JUL-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.070 | 2.430 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.397 | 3.179 |
| Rmeas | 0.429 | 3.429 |
| Rpim | 0.161 | 1.276 |
| Total number of observations | 734057 | 37113 |
| Number of reflections | 104667 | 5181 |
| <I/σ(I)> | 3.8 | 0.4 |
| Completeness [%] | 99.9 | |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.985 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 28 %v/v PEGSM (Precipitant), 0.15 M NaCl (Salt) |
