8FTQ
Crystal structure of hRpn13 Pru domain in complex with Ubiquitin and XL44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.350, 90.283, 65.027 |
| Unit cell angles | 90.00, 113.24, 90.00 |
Refinement procedure
| Resolution | 45.140 - 2.100 |
| R-factor | 0.2215 |
| Rwork | 0.220 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.831 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.069 | 0.414 |
| Rmeas | 0.082 | 0.502 |
| Rpim | 0.044 | 0.278 |
| Number of reflections | 32724 | 3183 |
| <I/σ(I)> | 9.01 | 2.39 |
| Completeness [%] | 98.5 | 97.07 |
| Redundancy | 3.4 | 3.1 |
| CC(1/2) | 0.994 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 277 | 0.1 M Citric acid pH 4.6 and 20% PEG4000 |
