9E1K
Discovery of Potent, Highly Selective and Efficacious SMARCA2 Degraders - Compound 11
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2022-10-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 31 |
| Unit cell lengths | 62.230, 62.230, 89.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.490 - 2.260 |
| R-factor | 0.25335 |
| Rwork | 0.251 |
| R-free | 0.30659 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.708 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.290 | 2.330 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.200 | 1.931 |
| Rmeas | 0.206 | 1.980 |
| Rpim | 0.046 | 0.436 |
| Total number of observations | 17254 | |
| Number of reflections | 17249 | 845 |
| <I/σ(I)> | 16.4 | 2.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | 20.4 |
| CC(1/2) | 0.998 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.03 M Zinc Acetate 22% v/v PEG 3350 |
