7HM7
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1635496816
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.452, 95.452, 45.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.490 - 1.340 |
| R-factor | 0.1718 |
| Rwork | 0.171 |
| R-free | 0.19340 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.832 |
| 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 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.220 | 1.340 |
| Rmerge | 0.097 | 0.069 | 1.598 |
| Rmeas | 0.101 | 0.072 | 1.739 |
| Rpim | 0.028 | 0.021 | 0.652 |
| Total number of observations | 545357 | 4022 | 12348 |
| Number of reflections | 45004 | 328 | 1812 |
| <I/σ(I)> | 17.3 | 74.8 | 1 |
| Completeness [%] | 97.2 | 99.9 | 78.3 |
| Redundancy | 12.1 | 12.3 | 6.8 |
| CC(1/2) | 0.998 | 0.999 | 0.272 |
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 |
