7HMK
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z271004858
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 | 95.601, 95.601, 45.742 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.300 - 1.350 |
| R-factor | 0.1843 |
| Rwork | 0.183 |
| R-free | 0.20870 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.721 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.140 | 1.350 |
| Rmerge | 0.100 | 0.062 | 1.956 |
| Rmeas | 0.105 | 0.065 | 2.108 |
| Rpim | 0.029 | 0.019 | 0.755 |
| Total number of observations | 542695 | 4191 | 14219 |
| Number of reflections | 44379 | 338 | 1990 |
| <I/σ(I)> | 13 | 70 | 0.5 |
| Completeness [%] | 97.7 | 99.6 | 84.5 |
| Redundancy | 12.2 | 12.4 | 7.1 |
| CC(1/2) | 0.998 | 0.999 | 0.279 |
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 |
