9GBM
Human Angiotensin-1 converting enzyme C-domain in complex with a diprolyl inhibitor- SG3
This is a non-PDB format compatible entry.
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 | 2019-09-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.886, 84.131, 132.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.149 - 1.900 |
| Rwork | 0.168 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.532 |
| 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] | 132.660 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.057 | 0.503 |
| Number of reflections | 50194 | 3201 |
| <I/σ(I)> | 8.5 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.2 | |
| CC(1/2) | 0.996 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289.15 | 0.1 M MIB pH 4.0, 5% glycerol, and 15% PEG 3350 |
