9QAU
Human angiotensin-1 converting enzyme N-domain in complex with perindoprilat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.288, 77.627, 83.151 |
| Unit cell angles | 88.64, 64.17, 74.83 |
Refinement procedure
| Resolution | 64.509 - 2.000 |
| Rwork | 0.200 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.863 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.520 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.085 | |
| Number of reflections | 106135 | 5303 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.967 | 0.453 |
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 |
