6ZPQ
Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain.
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 | 2019-03-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.683, 99.934, 128.701 |
| Unit cell angles | 97.76, 90.21, 111.06 |
Refinement procedure
| Resolution | 80.500 - 1.850 |
| R-factor | 0.1846 |
| Rwork | 0.184 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9v |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.773 |
| 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] | 96.260 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.134 | |
| Rpim | 0.055 | |
| Number of reflections | 286723 | 14077 |
| <I/σ(I)> | 7.7 | 0.8 |
| Completeness [%] | 97.7 | 96.3 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.996 | 0.546 |
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 |
