9DTX
Crystal structure of PRT3789 in complex with the bromodomain of human BRG1 (SMARCA4) and pVHL:ElonginC:ElonginB
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.190, 58.880, 131.080 |
| Unit cell angles | 90.00, 90.33, 90.00 |
Refinement procedure
| Resolution | 46.400 - 2.110 |
| R-factor | 0.1875 |
| Rwork | 0.185 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.544 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.400 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.060 | 0.409 |
| Rmeas | 0.065 | 0.477 |
| Rpim | 0.026 | 0.238 |
| Number of reflections | 32922 | 2502 |
| <I/σ(I)> | 16.8 | 2.9 |
| Completeness [%] | 99.2 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.999 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Bis-Tris propane, pH 8.5, 0.2 M potassium thiocyanate, 20% w/v PEG3350 |
