32QS
Ternary complex of TRIM21 and BRD4 in complex with PROTAC 1b
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-03-06 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 61.515, 41.984, 112.945 |
| Unit cell angles | 90.00, 101.65, 90.00 |
Refinement procedure
| Resolution | 34.469 - 2.700 |
| Rwork | 0.216 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.104 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.469 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.229 | 0.820 |
| Rmeas | 0.248 | 0.882 |
| Rpim | 0.093 | 0.324 |
| Total number of observations | 7693 | |
| Number of reflections | 7966 | 1049 |
| <I/σ(I)> | 6.8 | 2.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | 7.3 |
| CC(1/2) | 0.987 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Bis-Tris 25% PEG3350 |
