7KPY
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-07-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03319 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.880, 34.680, 90.740 |
| Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
| Resolution | 19.170 - 1.700 |
| R-factor | 0.2038 |
| Rwork | 0.202 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nr7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.053 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.170 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.103 | 0.844 |
| Number of reflections | 27564 | 1995 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 98.1 | 96.1 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.995 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 0.1 M Bis-Tris, pH 5.5 25% w/v Polyethylene glycol 3,350 |
