29LS
PanDDA analysis - Crystal structure of the Ubiquitin conjugating enzyme 4 from Leishmania major (LmUbC4) in complex with Z240654968
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 | 2024-07-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.921344 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 115.813, 115.813, 154.377 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.760 - 2.219 |
| R-factor | 0.2476 |
| Rwork | 0.246 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | DIMPLE |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.190 | 2.260 |
| High resolution limit [Å] | 2.219 | 2.220 |
| Number of reflections | 19922 | 945 |
| <I/σ(I)> | 20 | 0.4 |
| Completeness [%] | 100.0 | 99.3 |
| Redundancy | 20.6 | |
| CC(1/2) | 1.000 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 3.1 M NaCl, 0.1 M MES/imid pH 6.5, 20% glycerol |
