7HN8
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1318110042
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 | 2024-07-03 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.402, 95.402, 45.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.280 - 1.230 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.19660 |
| 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] | 41.240 | 41.240 | 1.250 |
| High resolution limit [Å] | 1.230 | 6.740 | 1.230 |
| Rmerge | 0.053 | 0.033 | 0.993 |
| Rmeas | 0.056 | 0.035 | 1.267 |
| Rpim | 0.016 | 0.011 | 0.773 |
| Total number of observations | 580633 | 5002 | 4384 |
| Number of reflections | 57173 | 401 | 1875 |
| <I/σ(I)> | 21.7 | 112.6 | 0.5 |
| Completeness [%] | 95.6 | 99.7 | 63.1 |
| Redundancy | 10.2 | 12.5 | 2.3 |
| CC(1/2) | 1.000 | 0.999 | 0.340 |
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 |
