7HML
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1354416068
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 | 95.522, 95.522, 45.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.790 - 1.260 |
| R-factor | 0.1827 |
| Rwork | 0.182 |
| R-free | 0.20100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.897 |
| 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] | 33.760 | 33.760 | 1.280 |
| High resolution limit [Å] | 1.260 | 6.780 | 1.260 |
| Rmerge | 0.052 | 0.045 | 1.039 |
| Rmeas | 0.055 | 0.048 | 1.293 |
| Rpim | 0.016 | 0.016 | 0.744 |
| Total number of observations | 575184 | 4856 | 6503 |
| Number of reflections | 54726 | 391 | 2330 |
| <I/σ(I)> | 21.1 | 116.2 | 0.5 |
| Completeness [%] | 98.1 | 99.4 | 81 |
| Redundancy | 10.5 | 12.4 | 2.8 |
| CC(1/2) | 1.000 | 0.996 | 0.356 |
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 |
