7HO8
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z993967070
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 | 95.627, 95.627, 45.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.860 - 1.390 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.19660 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.825 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.810 | 47.810 | 1.460 |
| High resolution limit [Å] | 1.390 | 4.390 | 1.390 |
| Rmerge | 0.133 | 0.036 | 2.283 |
| Rmeas | 0.140 | 0.038 | 2.442 |
| Rpim | 0.044 | 0.012 | 0.849 |
| Total number of observations | 387308 | 13366 | 39166 |
| Number of reflections | 40439 | 1388 | 5308 |
| <I/σ(I)> | 15.1 | 45.8 | 2.2 |
| Completeness [%] | 96.7 | 99.9 | 88.1 |
| Redundancy | 9.6 | 9.6 | 7.4 |
| CC(1/2) | 0.998 | 0.999 | 0.423 |
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 |
