7JKY
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-19 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.196, 42.303, 91.235 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.740 - 1.160 |
| R-factor | 0.1622 |
| Rwork | 0.162 |
| R-free | 0.17580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.959 |
| Data reduction software | Aimless |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.740 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.045 | 0.323 |
| Rmeas | 0.049 | 0.357 |
| Number of reflections | 52027 | 2436 |
| <I/σ(I)> | 18.4 | 4.2 |
| Completeness [%] | 99.8 | 96.1 |
| Redundancy | 6.9 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2M LiSO4, 0.1M Tris-HCl pH 8.5, 16-20% PEG 4000 |
