5DBM
Crystal structure of the CBP bromodomain in complex with CPI703
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 | PIXEL |
| Collection date | 2015-07-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.588, 34.034, 117.727 |
| Unit cell angles | 90.00, 103.93, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.860 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.987 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.094 | 0.038 | 0.680 |
| Rmeas | 0.111 | 0.045 | 0.803 |
| Rpim | 0.058 | 0.024 | 0.422 |
| Total number of observations | 132348 | ||
| Number of reflections | 36503 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 99.7 | 99.8 | 99 |
| Redundancy | 3.6 | 3.6 | 3.5 |
| CC(1/2) | 0.997 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 0.1 M BICINE:NaOH pH 9.0, 20% (w/v) PEG 6000 (CPI703) |
