7HNK
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1275599911
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 | 2024-07-03 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.572, 95.572, 45.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.390 - 1.390 |
| R-factor | 0.1824 |
| Rwork | 0.181 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.745 |
| 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] | 41.360 | 41.360 | 1.410 |
| High resolution limit [Å] | 1.390 | 7.610 | 1.390 |
| Rmerge | 0.130 | 0.134 | 2.108 |
| Rmeas | 0.135 | 0.141 | 2.251 |
| Rpim | 0.037 | 0.043 | 0.782 |
| Total number of observations | 517738 | 3297 | 16911 |
| Number of reflections | 41764 | 279 | 2067 |
| <I/σ(I)> | 10.7 | 36.7 | 0.7 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 12.4 | 11.8 | 8.2 |
| CC(1/2) | 0.995 | 0.933 | 0.436 |
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 |
