7HME
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z319545618
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 | 2024-05-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.721, 95.721, 45.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.690 - 1.510 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.20450 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.586 |
| 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] | 67.670 | 67.670 | 1.540 |
| High resolution limit [Å] | 1.510 | 8.140 | 1.510 |
| Rmerge | 0.177 | 0.049 | 4.703 |
| Rmeas | 0.184 | 0.052 | 4.945 |
| Rpim | 0.050 | 0.015 | 1.516 |
| Total number of observations | 434412 | 2769 | 17460 |
| Number of reflections | 32650 | 234 | 1662 |
| <I/σ(I)> | 8.8 | 53 | 0.4 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 13.3 | 11.8 | 10.5 |
| CC(1/2) | 0.999 | 0.998 | 0.287 |
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 |
