9SS7
Human angiotensin 1-converting enzyme C-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 | 2025-04-26 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.726, 84.945, 134.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.860 - 1.950 |
| Rwork | 0.186 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.628 |
| Data reduction software | xia2.multiplex |
| 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] | 71.860 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rpim | 0.062 | 0.852 |
| Number of reflections | 48340 | 3334 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.8 | |
| CC(1/2) | 0.997 | 0.420 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289.15 | 0.1 M MIB Buffer pH 4.0, 5% Glycerol, 15% PEG 3350 |
