7BL8
BAZ2A bromodomain in complex with the chemical probe BAZ2-ICR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-15 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.316, 95.316, 32.881 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.658 - 2.500 |
| R-factor | 0.2048 |
| Rwork | 0.203 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.864 |
| Data reduction software | Aimless (0.7.4) |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.660 | 47.660 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.109 | 0.051 | 0.483 |
| Rmeas | 0.129 | 0.062 | 0.567 |
| Rpim | 0.068 | 0.034 | 0.294 |
| Total number of observations | 20276 | 495 | 2318 |
| Number of reflections | 6016 | 146 | 654 |
| <I/σ(I)> | 7.7 | 19.4 | 1.8 |
| Completeness [%] | 98.8 | 98.1 | 97.9 |
| Redundancy | 3.4 | 3.4 | 3.5 |
| CC(1/2) | 0.988 | 0.990 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
