7HO4
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1003146540
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 | 95.307, 95.307, 45.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.390 - 1.210 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.19410 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.876 |
| 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] | 67.380 | 67.380 | 1.230 |
| High resolution limit [Å] | 1.210 | 6.630 | 1.210 |
| Rmerge | 0.061 | 0.035 | 0.890 |
| Rmeas | 0.063 | 0.037 | 1.177 |
| Rpim | 0.018 | 0.011 | 0.761 |
| Total number of observations | 583600 | 5180 | 3052 |
| Number of reflections | 58889 | 414 | 1700 |
| <I/σ(I)> | 21.2 | 106.9 | 0.6 |
| Completeness [%] | 94.3 | 99.9 | 55.8 |
| Redundancy | 9.9 | 12.5 | 1.8 |
| CC(1/2) | 1.000 | 0.999 | 0.328 |
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 |
