6H5W
Crystal structure of human Angiotensin-1 converting enzyme C-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 21 21 21 |
| Unit cell lengths | 56.596, 85.126, 134.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.894 - 1.370 |
| R-factor | 0.1458 |
| Rwork | 0.145 |
| R-free | 0.17530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.028 |
| 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] | 85.130 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rpim | 0.029 | 1.043 |
| Number of reflections | 136769 | 6712 |
| <I/σ(I)> | 13.2 | 0.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 49.3 | 44.2 |
| CC(1/2) | 1.000 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 0.1 M MIB Buffer pH 4.0, 5% Glycerol, 16% PEG 3350 |
