7HLU
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z741055844
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 | 95.427, 95.427, 45.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.480 - 1.150 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.18680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.950 |
| 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] | 67.470 | 67.470 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.037 | 0.048 | 0.190 |
| Rmeas | 0.038 | 0.051 | 0.268 |
| Rpim | 0.011 | 0.015 | 0.190 |
| Total number of observations | 588075 | 6050 | 423 |
| Number of reflections | 61433 | 481 | 404 |
| <I/σ(I)> | 33.8 | 90.8 | 1.9 |
| Completeness [%] | 84.0 | 99.9 | 11.1 |
| Redundancy | 9.6 | 12.6 | 1 |
| CC(1/2) | 0.999 | 0.997 | 0.914 |
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 |
