7Z6Z
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
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 | 2019-10-21 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.575, 77.800, 81.592 |
| Unit cell angles | 88.92, 64.62, 74.81 |
Refinement procedure
| Resolution | 63.460 - 1.750 |
| R-factor | 0.1722 |
| Rwork | 0.172 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.865 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.290 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.135 | |
| Rpim | 0.054 | |
| Number of reflections | 152059 | 7322 |
| <I/σ(I)> | 8.2 | 0.8 |
| Completeness [%] | 97.4 | 94.2 |
| Redundancy | 7.1 | 6.5 |
| CC(1/2) | 0.998 | 0.438 |
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 |
