7HMO
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z198194394
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 | 95.648, 95.648, 45.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.630 - 1.300 |
| R-factor | 0.1807 |
| Rwork | 0.180 |
| R-free | 0.20100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.748 |
| 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] | 67.620 | 67.620 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.106 | 0.056 | 2.097 |
| Rmeas | 0.110 | 0.058 | 2.248 |
| Rpim | 0.031 | 0.016 | 0.789 |
| Total number of observations | 566849 | 4271 | 9337 |
| Number of reflections | 45987 | 340 | 1202 |
| <I/σ(I)> | 13.7 | 77.7 | 0.6 |
| Completeness [%] | 90.2 | 99.7 | 48.4 |
| Redundancy | 12.3 | 12.6 | 7.8 |
| CC(1/2) | 0.998 | 1.000 | 0.396 |
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 |
