7HLH
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z453319206
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 | 2024-05-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.725, 95.725, 45.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.870 - 1.380 |
| R-factor | 0.1771 |
| Rwork | 0.176 |
| R-free | 0.19510 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.770 |
| 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] | 33.840 | 33.840 | 1.400 |
| High resolution limit [Å] | 1.380 | 7.560 | 1.380 |
| Rmerge | 0.101 | 0.069 | 2.309 |
| Rmeas | 0.105 | 0.073 | 2.467 |
| Rpim | 0.029 | 0.022 | 0.857 |
| Total number of observations | 525291 | 3383 | 16585 |
| Number of reflections | 42498 | 283 | 2054 |
| <I/σ(I)> | 14.8 | 77.9 | 0.6 |
| Completeness [%] | 99.8 | 99.1 | 98.2 |
| Redundancy | 12.4 | 12 | 8.1 |
| CC(1/2) | 0.999 | 0.985 | 0.407 |
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 |
