6XV3
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.184, 58.955, 59.639 |
| Unit cell angles | 105.25, 90.70, 97.94 |
Refinement procedure
| Resolution | 36.150 - 1.470 |
| R-factor | 0.261 |
| Rwork | 0.259 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.870 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.260 | 1.590 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 57389 | 2892 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 82.1 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.998 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 29 % PEG 3350, 0.2 M disodium malonate, 0.1 M HEPES |
