7HNI
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z373768900
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 | 2024-07-03 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.316, 95.316, 45.859 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.360 - 1.270 |
| R-factor | 0.1738 |
| Rwork | 0.173 |
| R-free | 0.18970 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.899 |
| 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] | 41.320 | 41.320 | 1.290 |
| High resolution limit [Å] | 1.270 | 6.960 | 1.270 |
| Rmerge | 0.083 | 0.052 | 1.566 |
| Rmeas | 0.087 | 0.055 | 1.794 |
| Rpim | 0.025 | 0.017 | 0.849 |
| Total number of observations | 572959 | 4453 | 6897 |
| Number of reflections | 51186 | 360 | 1663 |
| <I/σ(I)> | 17.3 | 94.6 | 0.6 |
| Completeness [%] | 94.4 | 99.6 | 63.6 |
| Redundancy | 11.2 | 12.4 | 4.1 |
| CC(1/2) | 0.997 | 0.991 | 0.313 |
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 |
