7HN5
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z45617795
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 | 95.324, 95.324, 45.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.400 - 1.320 |
| R-factor | 0.1766 |
| Rwork | 0.176 |
| R-free | 0.19410 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.885 |
| 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 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.078 | 0.052 | 1.561 |
| Rmeas | 0.082 | 0.055 | 1.748 |
| Rpim | 0.023 | 0.017 | 0.756 |
| Total number of observations | 549456 | 3868 | 10488 |
| Number of reflections | 47626 | 321 | 2064 |
| <I/σ(I)> | 15.7 | 55.7 | 0.8 |
| Completeness [%] | 98.8 | 99.9 | 87 |
| Redundancy | 11.5 | 12 | 5.1 |
| CC(1/2) | 0.998 | 0.956 | 0.298 |
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 |
