7BLC
BAZ2A bromodomain in complex with compound UP39
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 | 94.950, 94.950, 32.355 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.475 - 2.300 |
| R-factor | 0.1982 |
| Rwork | 0.197 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.949 |
| 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] | 82.230 | 82.230 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.216 | 0.099 | 1.555 |
| Rmeas | 0.228 | 0.106 | 1.634 |
| Rpim | 0.072 | 0.035 | 0.497 |
| Total number of observations | 72102 | 1423 | 7687 |
| Number of reflections | 7300 | 154 | 726 |
| <I/σ(I)> | 8.5 | 24.5 | 1.8 |
| Completeness [%] | 95.5 | 99.9 | 100 |
| Redundancy | 9.9 | 9.2 | 10.6 |
| CC(1/2) | 0.992 | 0.989 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
