7HMC
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1954800564
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 | 95.671, 95.671, 45.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.650 - 1.320 |
| R-factor | 0.1825 |
| Rwork | 0.181 |
| R-free | 0.20520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.752 |
| 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] | 67.640 | 67.640 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.093 | 0.056 | 1.810 |
| Rmeas | 0.097 | 0.059 | 1.972 |
| Rpim | 0.027 | 0.017 | 0.752 |
| Total number of observations | 559151 | 4041 | 10619 |
| Number of reflections | 46840 | 328 | 1660 |
| <I/σ(I)> | 14.8 | 83.8 | 0.5 |
| Completeness [%] | 96.0 | 99.9 | 70.5 |
| Redundancy | 11.9 | 12.3 | 6.4 |
| CC(1/2) | 0.997 | 0.996 | 0.317 |
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 |
