8QHL
Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| 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 | 73.337, 78.222, 83.011 |
| Unit cell angles | 88.75, 64.70, 75.25 |
Refinement procedure
| Resolution | 75.268 - 1.900 |
| Rwork | 0.188 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.058 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.270 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.060 | 0.937 |
| Number of reflections | 123919 | 6083 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 97.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.357 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289.15 | 30% PEG 550 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5, and 60 mM divalent cations (molecular dimensions screen, Morpheus A9) |
