7HLA
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z111634612
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 | 2024-05-21 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.716, 95.716, 45.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.280 - 1.230 |
| R-factor | 0.1738 |
| Rwork | 0.173 |
| R-free | 0.19020 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.001 |
| 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] | 31.250 | 31.250 | 1.250 |
| High resolution limit [Å] | 1.230 | 6.730 | 1.230 |
| Rmerge | 0.064 | 0.049 | 1.182 |
| Rmeas | 0.067 | 0.051 | 1.463 |
| Rpim | 0.019 | 0.016 | 0.840 |
| Total number of observations | 583818 | 5047 | 4322 |
| Number of reflections | 55780 | 403 | 1658 |
| <I/σ(I)> | 16.1 | 65.2 | 0.5 |
| Completeness [%] | 92.6 | 99.2 | 55.9 |
| Redundancy | 10.5 | 12.5 | 2.6 |
| CC(1/2) | 0.998 | 0.966 | 0.313 |
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 |
