6XVC
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.197, 50.466, 57.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.940 - 1.098 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.19780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.940 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 39689 | 1985 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 90.1 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.999 | 0.629 |
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 |
