7HO6
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z3220108246
This is a non-PDB format compatible entry.
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 | 95.315, 95.315, 45.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.400 - 1.240 |
| R-factor | 0.1761 |
| Rwork | 0.175 |
| R-free | 0.19240 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.879 |
| 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] | 67.390 | 67.390 | 1.260 |
| High resolution limit [Å] | 1.240 | 6.790 | 1.240 |
| Rmerge | 0.075 | 0.046 | 1.446 |
| Rmeas | 0.079 | 0.048 | 1.757 |
| Rpim | 0.023 | 0.015 | 0.972 |
| Total number of observations | 578808 | 4823 | 4966 |
| Number of reflections | 55008 | 389 | 1788 |
| <I/σ(I)> | 16.7 | 74.5 | 0.6 |
| Completeness [%] | 94.5 | 99.9 | 62.7 |
| Redundancy | 10.5 | 12.4 | 2.8 |
| CC(1/2) | 0.999 | 0.975 | 0.228 |
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 |
