7HMG
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z274575916
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 | 2024-07-10 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.530, 95.530, 45.761 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.550 - 1.320 |
| R-factor | 0.1739 |
| Rwork | 0.173 |
| R-free | 0.18450 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.870 |
| 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] | 67.550 | 67.550 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.126 | 0.058 | 2.968 |
| Rmeas | 0.132 | 0.061 | 3.346 |
| Rpim | 0.038 | 0.018 | 1.523 |
| Total number of observations | 556728 | 3909 | 10548 |
| Number of reflections | 48506 | 327 | 2346 |
| <I/σ(I)> | 17.8 | 81.4 | 1 |
| Completeness [%] | 99.9 | 99.9 | 97.9 |
| Redundancy | 11.5 | 12 | 4.5 |
| CC(1/2) | 0.999 | 0.999 | 0.305 |
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 |
