7HNL
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1251207602
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 | 95.333, 95.333, 45.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.730 - 1.440 |
| R-factor | 0.1916 |
| Rwork | 0.190 |
| R-free | 0.21640 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.583 |
| 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] | 33.700 | 33.700 | 1.460 |
| High resolution limit [Å] | 1.440 | 7.890 | 1.440 |
| Rmerge | 0.148 | 0.067 | 3.394 |
| Rmeas | 0.154 | 0.071 | 3.595 |
| Rpim | 0.042 | 0.021 | 1.176 |
| Total number of observations | 477372 | 2857 | 16894 |
| Number of reflections | 37327 | 246 | 1828 |
| <I/σ(I)> | 8.1 | 43.9 | 0.3 |
| Completeness [%] | 100.0 | 99 | 99.8 |
| Redundancy | 12.8 | 11.6 | 9.2 |
| CC(1/2) | 0.997 | 0.960 | 0.379 |
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 |
