7HMM
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z165170770
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 | 2024-05-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.548, 95.548, 45.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.560 - 1.280 |
| R-factor | 0.1817 |
| Rwork | 0.181 |
| R-free | 0.19850 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.837 |
| 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] | 67.550 | 67.550 | 1.300 |
| High resolution limit [Å] | 1.280 | 7.010 | 1.280 |
| Rmerge | 0.071 | 0.045 | 1.283 |
| Rmeas | 0.074 | 0.048 | 1.530 |
| Rpim | 0.021 | 0.014 | 0.811 |
| Total number of observations | 571923 | 4394 | 7725 |
| Number of reflections | 52550 | 357 | 2255 |
| <I/σ(I)> | 16.9 | 93.2 | 0.5 |
| Completeness [%] | 98.7 | 99.9 | 86.6 |
| Redundancy | 10.9 | 12.3 | 3.4 |
| CC(1/2) | 0.999 | 0.995 | 0.289 |
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 |
