7HNJ
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1162778919
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 | 95.373, 95.373, 45.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.440 - 1.430 |
| R-factor | 0.1706 |
| Rwork | 0.169 |
| R-free | 0.19550 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.754 |
| 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] | 67.440 | 67.440 | 1.460 |
| High resolution limit [Å] | 1.430 | 7.840 | 1.430 |
| Rmerge | 0.278 | 0.089 | 9.999 |
| Rmeas | 0.289 | 0.094 | 10.000 |
| Rpim | 0.081 | 0.030 | 3.727 |
| Total number of observations | 488344 | 2837 | 17226 |
| Number of reflections | 38158 | 257 | 1891 |
| <I/σ(I)> | 13.8 | 59.8 | 0.9 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 12.8 | 11 | 9.1 |
| CC(1/2) | 0.997 | 0.943 | 0.356 |
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 |
