7HLM
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29077827
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 | 95.509, 95.509, 45.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.790 - 1.150 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19170 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.948 |
| 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] | 33.760 | 33.760 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.028 | 0.038 | 0.147 |
| Rmeas | 0.029 | 0.040 | 0.208 |
| Rpim | 0.008 | 0.013 | 0.147 |
| Total number of observations | 588195 | 5893 | 441 |
| Number of reflections | 61914 | 485 | 434 |
| <I/σ(I)> | 43 | 131.6 | 1.7 |
| Completeness [%] | 84.3 | 99.5 | 12.1 |
| Redundancy | 9.5 | 12.2 | 1 |
| CC(1/2) | 0.999 | 0.994 | 0.947 |
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 |
