7HLC
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1079512010
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 | 2024-05-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.861, 95.861, 45.632 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.910 - 1.350 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.20650 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.728 |
| 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] | 33.880 | 33.880 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.400 | 1.350 |
| Rmerge | 0.086 | 0.060 | 1.809 |
| Rmeas | 0.090 | 0.064 | 1.992 |
| Rpim | 0.025 | 0.020 | 0.808 |
| Total number of observations | 543224 | 3635 | 12868 |
| Number of reflections | 45569 | 302 | 2239 |
| <I/σ(I)> | 12.7 | 64.1 | 0.4 |
| Completeness [%] | 100.0 | 99.2 | 99.6 |
| Redundancy | 11.9 | 12 | 5.7 |
| CC(1/2) | 0.998 | 0.963 | 0.291 |
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 |
