7HN2
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1002247062
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 | 2024-05-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.522, 95.522, 45.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.230 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19820 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.872 |
| 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] | 41.260 | 41.260 | 1.250 |
| High resolution limit [Å] | 1.230 | 6.740 | 1.230 |
| Rmerge | 0.063 | 0.043 | 1.018 |
| Rmeas | 0.065 | 0.045 | 1.305 |
| Rpim | 0.019 | 0.014 | 0.802 |
| Total number of observations | 583990 | 5019 | 4437 |
| Number of reflections | 57340 | 401 | 1901 |
| <I/σ(I)> | 17.8 | 100.5 | 0.4 |
| Completeness [%] | 95.6 | 99.7 | 63.6 |
| Redundancy | 10.2 | 12.5 | 2.3 |
| CC(1/2) | 0.999 | 0.992 | 0.358 |
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 |
