7HMX
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z763030030
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 | 95.583, 95.583, 45.936 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.820 - 1.570 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.23950 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.434 |
| 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] | 33.790 | 33.790 | 1.600 |
| High resolution limit [Å] | 1.570 | 8.600 | 1.570 |
| Rmerge | 0.356 | 0.337 | 3.228 |
| Rmeas | 0.370 | 0.354 | 3.376 |
| Rpim | 0.100 | 0.104 | 0.977 |
| Total number of observations | 395942 | 2368 | 16778 |
| Number of reflections | 29079 | 197 | 1425 |
| <I/σ(I)> | 3.5 | 11.6 | 0.3 |
| Completeness [%] | 100.0 | 98.7 | 99.3 |
| Redundancy | 13.6 | 12 | 11.8 |
| CC(1/2) | 0.983 | 0.936 | 0.265 |
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 |
