8G1Q
Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 62 |
| Unit cell lengths | 158.163, 158.163, 44.857 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.660 - 3.730 |
| R-factor | 0.2395 |
| Rwork | 0.235 |
| R-free | 0.32580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.755 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.660 | 4.170 |
| High resolution limit [Å] | 3.730 | 3.730 |
| Rmerge | 0.065 | |
| Rmeas | 0.366 | |
| Number of reflections | 6928 | 6944 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.8 | 10.1 |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 300 0.1M Bis-Tris 6.5 |
