6H5X
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat.
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 | 2017-06-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.160, 76.953, 83.088 |
| Unit cell angles | 88.83, 64.22, 75.21 |
Refinement procedure
| Resolution | 44.604 - 1.800 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6en5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.910 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.018 | 0.264 |
| Number of reflections | 141750 | 6978 |
| <I/σ(I)> | 20.9 | 2.9 |
| Completeness [%] | 97.4 | 96.1 |
| Redundancy | 13.6 | 13.9 |
| CC(1/2) | 1.000 | 0.903 |
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 |
