9GBN
Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG15
This is a non-PDB format compatible entry.
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 | 2020-02-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9119 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.356, 84.229, 133.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.372 - 2.000 |
| Rwork | 0.178 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.608 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 133.730 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.064 | 0.477 |
| Number of reflections | 43891 | 3184 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.9 | |
| CC(1/2) | 0.997 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350 |
