7BLD
BAZ2A bromodomain in complex with compound UZH23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.872, 94.872, 32.539 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.054 - 2.350 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mgj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.802 |
| Data reduction software | Aimless (0.6.2) |
| 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] | 47.440 | 47.440 | 2.430 |
| High resolution limit [Å] | 2.350 | 9.100 | 2.350 |
| Rmerge | 0.248 | 0.052 | 1.614 |
| Rmeas | 0.260 | 0.055 | 1.691 |
| Rpim | 0.078 | 0.017 | 0.499 |
| Total number of observations | 77949 | 1492 | 7848 |
| Number of reflections | 7207 | 144 | 693 |
| <I/σ(I)> | 9.8 | 35.5 | 1.9 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 10.8 | 10.4 | 11.3 |
| CC(1/2) | 0.994 | 0.999 | 0.816 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |
