7HMN
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z57478994
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 | 95.390, 95.390, 45.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.750 - 1.330 |
| R-factor | 0.1829 |
| Rwork | 0.182 |
| R-free | 0.20190 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.745 |
| 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] | 33.720 | 33.720 | 1.350 |
| High resolution limit [Å] | 1.330 | 7.290 | 1.330 |
| Rmerge | 0.085 | 0.044 | 1.524 |
| Rmeas | 0.088 | 0.046 | 1.711 |
| Rpim | 0.025 | 0.014 | 0.748 |
| Total number of observations | 547600 | 3807 | 11176 |
| Number of reflections | 47236 | 314 | 2274 |
| <I/σ(I)> | 13.3 | 69.2 | 0.4 |
| Completeness [%] | 99.9 | 99.2 | 97.6 |
| Redundancy | 11.6 | 12.1 | 4.9 |
| CC(1/2) | 0.999 | 0.997 | 0.337 |
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 |
