32PP
CRYSTAL STRUCTURE OF BRD4 BD1 IN COMPLEX WITH Compound 9
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.349, 78.749, 31.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.030 - 1.440 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.580 | 1.595 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Number of reflections | 13973 | 699 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 64.0 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.999 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 19 % PEG 3350, 0.2 M Sodium Malonate, 0.1 M HEPES |
