7BL9
BAZ2A bromodomain in complex with GSK2801 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 | 2020-02-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.943 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.271, 56.802, 76.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.310 - 1.300 |
| R-factor | 0.1571 |
| Rwork | 0.156 |
| R-free | 0.17970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| 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] | 38.312 | 38.310 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.000 | 1.300 |
| Rmerge | 0.054 | 0.023 | 1.150 |
| Rmeas | 0.057 | 0.025 | 1.199 |
| Rpim | 0.016 | 0.007 | 0.336 |
| Total number of observations | 1777 | 15369 | |
| Number of reflections | 24160 | 190 | 1216 |
| <I/σ(I)> | 23 | 80.3 | 2.3 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 12.4 | 9.4 | 12.6 |
| CC(1/2) | 1.000 | 1.000 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
