7HLY
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z235449082
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 | 95.467, 95.467, 45.932 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.420 - 1.320 |
| R-factor | 0.1822 |
| Rwork | 0.181 |
| R-free | 0.19880 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.760 |
| 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] | 41.390 | 41.390 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.090 | 0.051 | 1.727 |
| Rmeas | 0.093 | 0.054 | 1.924 |
| Rpim | 0.026 | 0.017 | 0.811 |
| Total number of observations | 557263 | 3984 | 10592 |
| Number of reflections | 47869 | 326 | 1981 |
| <I/σ(I)> | 13.6 | 68.2 | 0.5 |
| Completeness [%] | 98.4 | 99.6 | 83.4 |
| Redundancy | 11.6 | 12.2 | 5.3 |
| CC(1/2) | 0.998 | 0.974 | 0.333 |
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 |
