5M39
Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 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 | 2011-11-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.90002 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.379, 39.506, 57.972 |
| Unit cell angles | 99.71, 105.05, 89.90 |
Refinement procedure
| Resolution | 38.900 - 1.380 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 1.381 |
| High resolution limit [Å] | 1.377 | 1.377 |
| Rmerge | 0.036 | 0.318 |
| Number of reflections | 47067 | |
| <I/σ(I)> | 8.9 | 2.1 |
| Completeness [%] | 88.6 | 87.6 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 27% PEG3350 0.2M Disodium malonate 0.01 M HEPES |
