7HNN
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z31432226
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 | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.476, 95.476, 45.903 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.780 - 1.310 |
| R-factor | 0.1788 |
| Rwork | 0.178 |
| R-free | 0.20190 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.829 |
| 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] | 33.750 | 33.750 | 1.330 |
| High resolution limit [Å] | 1.310 | 7.180 | 1.310 |
| Rmerge | 0.084 | 0.047 | 1.540 |
| Rmeas | 0.088 | 0.049 | 1.775 |
| Rpim | 0.025 | 0.014 | 0.861 |
| Total number of observations | 561139 | 4045 | 9839 |
| Number of reflections | 49694 | 331 | 2369 |
| <I/σ(I)> | 13.4 | 59.1 | 0.5 |
| Completeness [%] | 99.9 | 99.2 | 97.7 |
| Redundancy | 11.3 | 12.2 | 4.2 |
| CC(1/2) | 0.999 | 0.998 | 0.266 |
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 |
