9QA2
Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with RW dipeptide
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 | 2023-10-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95 |
| Spacegroup name | H 3 |
| Unit cell lengths | 172.894, 172.894, 103.623 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.447 - 1.900 |
| Rwork | 0.164 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.904 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.100)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.450 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.040 | 0.464 |
| Number of reflections | 91012 | 4494 |
| <I/σ(I)> | 10.2 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | |
| CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1.2 M sodium citrate, 0.1 M HEPES pH 7.5 |
