7HN7
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z198194396
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 | 95.457, 95.457, 45.887 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.500 - 1.310 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.20260 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.783 |
| 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 | 1.330 |
| High resolution limit [Å] | 1.310 | 7.060 | 1.310 |
| Rmerge | 0.104 | 0.062 | 2.290 |
| Rmeas | 0.108 | 0.065 | 2.483 |
| Rpim | 0.030 | 0.019 | 0.925 |
| Total number of observations | 561227 | 4257 | 10296 |
| Number of reflections | 46620 | 349 | 1500 |
| <I/σ(I)> | 15.6 | 86.4 | 0.7 |
| Completeness [%] | 93.9 | 99.9 | 60.6 |
| Redundancy | 12 | 12.2 | 6.9 |
| CC(1/2) | 0.999 | 0.995 | 0.314 |
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 |
