6F9V
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat.
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 | 2017-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.224, 77.215, 83.107 |
| Unit cell angles | 88.36, 64.20, 75.29 |
Refinement procedure
| Resolution | 21.971 - 1.690 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.069 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.350 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 171761 | 8405 |
| <I/σ(I)> | 17.9 | 3.6 |
| Completeness [%] | 97.2 | 95.8 |
| Redundancy | 6.9 | 6.4 |
| CC(1/2) | 0.998 | 0.950 |
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 |
