9HYP
CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P5
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 | 2018-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96859 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.624, 81.585, 58.117 |
| Unit cell angles | 90.00, 97.75, 90.00 |
Refinement procedure
| Resolution | 47.050 - 2.200 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.102 | 0.603 |
| Number of reflections | 21865 | 999 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 28% PEG 3350 0.2 M potassium thiocyanate 0.1 M Bis-Tris Propane pH 7.5 |
