5MGJ
Crystal Structure of BAZ2A 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 | P 31 2 1 |
| Unit cell lengths | 95.737, 95.737, 32.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.337 - 2.100 |
| R-factor | 0.1936 |
| Rwork | 0.192 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lz2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| 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] | 47.870 | 47.870 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.206 | 0.058 | 1.074 |
| Rmeas | 0.218 | ||
| Rpim | 0.070 | ||
| Total number of observations | 100297 | ||
| Number of reflections | 10377 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 9.7 | 9.3 | 10.1 |
| CC(1/2) | 0.995 | 0.998 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
