9MR9
Crystal structure of AU-15330 in complex with the bromodomain of human BRM (SMARCA2) and pVHL:ElonginC:ElonginB
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.950, 298.503, 142.988 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.870 - 3.300 |
| R-factor | 0.2216 |
| Rwork | 0.219 |
| R-free | 0.27520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.596 |
| 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] | 29.870 | 3.370 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.203 | 1.190 |
| Rmeas | 0.267 | 1.554 |
| Rpim | 0.171 | 0.989 |
| Number of reflections | 70695 | 4624 |
| <I/σ(I)> | 5.4 | 1.1 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.981 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.05~0.2 M sodium formate, 0.1 M HEPES, pH 7.5~8.5, 10%~24% w/v PEG3350 |
