6FG6
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.000, 95.000, 32.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.136 - 2.401 |
| R-factor | 0.2195 |
| Rwork | 0.218 |
| R-free | 0.24560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.546 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.500 | 47.500 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.195 | 0.050 | 1.294 |
| Rmeas | 0.206 | 0.054 | 1.361 |
| Rpim | 0.065 | 0.018 | 0.420 |
| Total number of observations | 68027 | ||
| Number of reflections | 6850 | 152 | 705 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 9.9 | 9.2 | 10.3 |
| CC(1/2) | 0.997 | 0.999 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
