6FH6
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.744, 95.997, 57.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.998 - 2.082 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir5 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.572 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.999 | 2.152 |
| High resolution limit [Å] | 2.082 | 2.082 |
| Rmerge | 0.045 | 0.461 |
| Rmeas | 0.051 | 0.496 |
| Rpim | 0.019 | 0.175 |
| Number of reflections | 8432 | 420 |
| <I/σ(I)> | 20.7 | 4.1 |
| Completeness [%] | 61.9 | 33.5 |
| Redundancy | 7.4 | 7.9 |
| CC(1/2) | 1.000 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG500MME, 2% PEG1000, 2% PEG3350, 10% PEG20000, 2% MPD |
