9HYO
CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96859 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.525, 64.096, 89.476 |
| Unit cell angles | 90.00, 96.87, 90.00 |
Refinement procedure
| Resolution | 48.180 - 3.740 |
| R-factor | 0.226 |
| Rwork | 0.220 |
| R-free | 0.34800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 3.874 |
| High resolution limit [Å] | 3.740 | 3.741 |
| Rmeas | 0.188 | 0.775 |
| Number of reflections | 5689 | 678 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 98.6 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES pH 7.0 8% ethylene glycol 14% PEG 8K |
