7HNW
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1446981563
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 | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.375, 95.375, 45.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.440 - 1.210 |
| R-factor | 0.1765 |
| Rwork | 0.176 |
| R-free | 0.19090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.869 |
| 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] | 67.430 | 67.430 | 1.230 |
| High resolution limit [Å] | 1.210 | 6.630 | 1.210 |
| Rmerge | 0.057 | 0.046 | 1.020 |
| Rmeas | 0.059 | 0.049 | 1.308 |
| Rpim | 0.017 | 0.015 | 0.805 |
| Total number of observations | 582943 | 5139 | 3071 |
| Number of reflections | 57582 | 411 | 1540 |
| <I/σ(I)> | 19.3 | 90 | 0.5 |
| Completeness [%] | 92.1 | 99.9 | 50.1 |
| Redundancy | 10.1 | 12.5 | 2 |
| CC(1/2) | 0.998 | 0.954 | 0.399 |
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 |
