7BLB
BAZ2A bromodomain in complex with GSK4027 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.089, 94.089, 33.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.044 - 2.300 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.885 |
| Data reduction software | Aimless (0.7.4) |
| 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] | 47.044 | 47.040 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.184 | 0.046 | 1.191 |
| Rmeas | 0.189 | 0.048 | 1.235 |
| Rpim | 0.045 | 0.012 | 0.320 |
| Total number of observations | 2449 | 10911 | |
| Number of reflections | 7763 | 154 | 764 |
| <I/σ(I)> | 11.5 | 31.4 | 2.3 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 17.3 | 15.9 | 14.3 |
| CC(1/2) | 0.997 | 0.999 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
