9QA4
Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with WR 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 | 2023-09-18 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95 |
| Spacegroup name | H 3 |
| Unit cell lengths | 172.947, 172.947, 103.007 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.473 - 1.850 |
| Rwork | 0.154 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.909 |
| 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] | 86.473 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.026 | 0.320 |
| Number of reflections | 98093 | 4875 |
| <I/σ(I)> | 15.6 | 2.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.999 | 0.886 |
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 |
