7HMW
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1492796719
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 | 95.557, 95.557, 45.929 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.570 - 1.340 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.20700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.714 |
| 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] | 67.560 | 67.560 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.111 | 0.090 | 1.989 |
| Rmeas | 0.115 | 0.095 | 2.216 |
| Rpim | 0.032 | 0.031 | 0.940 |
| Total number of observations | 548202 | 3755 | 11889 |
| Number of reflections | 46596 | 313 | 2264 |
| <I/σ(I)> | 13.4 | 69.3 | 0.5 |
| Completeness [%] | 100.0 | 99.9 | 99.3 |
| Redundancy | 11.8 | 12 | 5.3 |
| CC(1/2) | 0.999 | 0.994 | 0.318 |
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 |
