7HNF
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1689442171
This is a non-PDB format compatible entry.
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 | 95.459, 95.459, 45.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.500 - 1.320 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20160 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.865 |
| 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] | 67.500 | 67.500 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.094 | 0.055 | 1.926 |
| Rmeas | 0.098 | 0.058 | 2.177 |
| Rpim | 0.028 | 0.018 | 0.980 |
| Total number of observations | 554419 | 3950 | 10646 |
| Number of reflections | 48226 | 327 | 2280 |
| <I/σ(I)> | 17.6 | 64.7 | 1.1 |
| Completeness [%] | 99.6 | 99.9 | 95.3 |
| Redundancy | 11.5 | 12.1 | 4.7 |
| CC(1/2) | 0.999 | 0.998 | 0.264 |
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 |
