9SS8
Human angiotensin 1-converting enzyme N-domain in complex with rentiapril
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95371 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.952, 77.018, 82.885 |
| Unit cell angles | 88.56, 64.09, 75.23 |
Refinement procedure
| Resolution | 74.187 - 2.000 |
| Rwork | 0.173 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.308 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0431 (refmacat 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.190 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.060 | 0.525 |
| Number of reflections | 103623 | 5203 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.2 | |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.986 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000 |
