7HLT
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z328695024
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 | 95.377, 95.377, 45.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.330 - 1.150 |
| R-factor | 0.1754 |
| Rwork | 0.175 |
| R-free | 0.18730 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.970 |
| 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] | 41.290 | 41.290 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.036 | 0.059 | 0.219 |
| Rmeas | 0.038 | 0.063 | 0.309 |
| Rpim | 0.011 | 0.020 | 0.219 |
| Total number of observations | 587882 | 5930 | 431 |
| Number of reflections | 62217 | 476 | 423 |
| <I/σ(I)> | 39.2 | 81.1 | 3.6 |
| Completeness [%] | 85.2 | 99.7 | 11.8 |
| Redundancy | 9.4 | 12.5 | 1 |
| CC(1/2) | 0.999 | 0.984 | 0.739 |
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 |
