6TT4
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.371, 78.825, 89.686 |
| Unit cell angles | 92.43, 105.97, 114.60 |
Refinement procedure
| Resolution | 64.010 - 1.800 |
| R-factor | 0.1823 |
| Rwork | 0.182 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9v |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.011 |
| 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] | 64.010 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.028 | 0.291 |
| Number of reflections | 157824 | 7727 |
| <I/σ(I)> | 13.9 | 2 |
| Completeness [%] | 97.2 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.776 |
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 |
