5MGE
Crystal structure of BAZ2B bromodomain in complex with 1-methylpyridine derivative 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 | 2016-07-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.949, 96.753, 57.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.376 - 1.950 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.996 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.380 | 48.380 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.077 | 0.031 | 0.785 |
| Rmeas | 0.034 | 0.842 | |
| Rpim | 0.012 | 0.302 | |
| Total number of observations | 1363 | 8953 | |
| Number of reflections | 16759 | ||
| <I/σ(I)> | 14.1 | 39.7 | 2.2 |
| Completeness [%] | 99.9 | 99.4 | 99.7 |
| Redundancy | 7.2 | 6.6 | 7.7 |
| CC(1/2) | 0.999 | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG500MME (20%), PEG1000 (2%), PEG3350 (2%), PEG20000 (10%), MPD (2%) |
