7HMS
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z126932614
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 | 95.442, 95.442, 45.856 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.490 - 1.150 |
| R-factor | 0.1785 |
| Rwork | 0.178 |
| R-free | 0.19440 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.906 |
| 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] | 67.480 | 67.480 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.280 | 1.150 |
| Rmerge | 0.041 | 0.038 | 0.348 |
| Rmeas | 0.043 | 0.040 | 0.492 |
| Rpim | 0.012 | 0.012 | 0.348 |
| Total number of observations | 590480 | 6244 | 335 |
| Number of reflections | 62571 | 490 | 328 |
| <I/σ(I)> | 26.5 | 108.6 | 0.6 |
| Completeness [%] | 84.7 | 99.9 | 9.2 |
| Redundancy | 9.4 | 12.7 | 1 |
| CC(1/2) | 0.999 | 0.999 | 0.120 |
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 |
