7B7B
BAZ2A bromodomain in complex with triazole compound MS04
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 | 2019-03-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.119, 35.163, 37.525 |
| Unit cell angles | 90.00, 92.48, 90.00 |
Refinement procedure
| Resolution | 37.490 - 1.400 |
| R-factor | 0.1458 |
| Rwork | 0.144 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.881 |
| Data reduction software | Aimless |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.490 | 37.490 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
| Rmerge | 0.049 | 0.037 | 0.838 |
| Rmeas | 0.056 | 0.043 | 0.956 |
| Rpim | 0.026 | 0.020 | 0.452 |
| Total number of observations | 81556 | 494 | 4173 |
| Number of reflections | 18984 | 132 | 966 |
| <I/σ(I)> | 16.8 | 28.6 | 1.9 |
| Completeness [%] | 98.7 | 96.2 | 97.8 |
| Redundancy | 4.3 | 3.7 | 4.3 |
| CC(1/2) | 0.999 | 0.998 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
