7BLA
BAZ2A bromodomain in complex with TP-238 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 21 21 21 |
| Unit cell lengths | 35.645, 50.942, 67.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.713 - 1.086 |
| R-factor | 0.1405 |
| Rwork | 0.140 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| 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] | 40.713 | 40.710 | 1.110 |
| High resolution limit [Å] | 1.086 | 5.950 | 1.090 |
| Rmerge | 0.055 | 0.048 | 0.662 |
| Rmeas | 0.057 | 0.051 | 0.698 |
| Rpim | 0.016 | 0.016 | 0.219 |
| Total number of observations | 4035 | 24085 | |
| Number of reflections | 51757 | 389 | 2448 |
| <I/σ(I)> | 21.9 | 45.1 | 3 |
| Completeness [%] | 98.3 | 98.9 | 95.2 |
| Redundancy | 12.1 | 10.4 | 9.8 |
| CC(1/2) | 0.999 | 0.997 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
