7HM8
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z285782452
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 | 95.639, 95.639, 45.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.360 - 1.330 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.776 |
| 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] | 41.320 | 41.320 | 1.350 |
| High resolution limit [Å] | 1.330 | 7.280 | 1.330 |
| Rmerge | 0.082 | 0.053 | 1.737 |
| Rmeas | 0.086 | 0.056 | 1.931 |
| Rpim | 0.024 | 0.018 | 0.816 |
| Total number of observations | 552323 | 3801 | 11213 |
| Number of reflections | 47530 | 315 | 2204 |
| <I/σ(I)> | 14.8 | 76 | 0.5 |
| Completeness [%] | 99.5 | 99.6 | 93.6 |
| Redundancy | 11.6 | 12.1 | 5.1 |
| CC(1/2) | 0.999 | 0.972 | 0.375 |
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 |
