7HN4
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z56827661
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 | 2024-05-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.388, 95.388, 45.754 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.190 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.19520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.874 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.250 | 41.250 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.056 | 0.053 | 0.696 |
| Rmeas | 0.059 | 0.056 | 0.945 |
| Rpim | 0.017 | 0.017 | 0.635 |
| Total number of observations | 586822 | 5455 | 2022 |
| Number of reflections | 60873 | 434 | 1389 |
| <I/σ(I)> | 19.1 | 87.1 | 0.5 |
| Completeness [%] | 92.5 | 99.7 | 43.6 |
| Redundancy | 9.6 | 12.6 | 1.5 |
| CC(1/2) | 1.000 | 0.995 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8 |
