7HNY
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z44592329
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 | 95.342, 95.342, 45.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.260 - 1.280 |
| R-factor | 0.1785 |
| Rwork | 0.178 |
| R-free | 0.19260 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.852 |
| 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] | 41.230 | 41.230 | 1.300 |
| High resolution limit [Å] | 1.280 | 7.010 | 1.280 |
| Rmerge | 0.077 | 0.052 | 1.256 |
| Rmeas | 0.081 | 0.055 | 1.500 |
| Rpim | 0.023 | 0.017 | 0.793 |
| Total number of observations | 568711 | 4293 | 7602 |
| Number of reflections | 52395 | 351 | 2266 |
| <I/σ(I)> | 16.5 | 95.6 | 0.5 |
| Completeness [%] | 98.8 | 99.6 | 86 |
| Redundancy | 10.9 | 12.2 | 3.4 |
| CC(1/2) | 0.999 | 0.995 | 0.340 |
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 |
