7HMD
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z425387594
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 | 95.768, 95.768, 45.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.880 - 1.290 |
| R-factor | 0.1726 |
| Rwork | 0.172 |
| R-free | 0.19070 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.869 |
| 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] | 33.850 | 33.850 | 1.310 |
| High resolution limit [Å] | 1.290 | 7.070 | 1.290 |
| Rmerge | 0.068 | 0.051 | 0.982 |
| Rmeas | 0.071 | 0.054 | 1.167 |
| Rpim | 0.020 | 0.016 | 0.610 |
| Total number of observations | 567584 | 4187 | 8327 |
| Number of reflections | 51602 | 344 | 2282 |
| <I/σ(I)> | 18.9 | 93.3 | 0.8 |
| Completeness [%] | 99.2 | 99.3 | 89 |
| Redundancy | 11 | 12.2 | 3.6 |
| CC(1/2) | 0.999 | 0.990 | 0.404 |
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 |
