7HM5
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z192955056
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.749, 95.749, 45.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.880 - 1.380 |
| R-factor | 0.1812 |
| Rwork | 0.180 |
| R-free | 0.20180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.695 |
| 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] | 33.840 | 33.840 | 1.400 |
| High resolution limit [Å] | 1.380 | 7.560 | 1.380 |
| Rmerge | 0.107 | 0.054 | 2.204 |
| Rmeas | 0.111 | 0.057 | 2.359 |
| Rpim | 0.031 | 0.018 | 0.832 |
| Total number of observations | 527980 | 3420 | 16675 |
| Number of reflections | 42800 | 284 | 2106 |
| <I/σ(I)> | 12.2 | 73.1 | 0.4 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 12.3 | 12 | 7.9 |
| CC(1/2) | 0.999 | 0.989 | 0.392 |
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 |
