4YK0
Crystal structure of the CBP bromodomain in complex with CPI098
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] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | H 3 |
| Unit cell lengths | 122.700, 122.700, 81.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.500 - 1.650 |
| R-factor | 0.2456 |
| Rwork | 0.244 |
| R-free | 0.26940 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.716 |
| Data reduction software | DENZO |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.504 | 25.247 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.042 | 0.337 | |
| Rmeas | 0.105 | ||
| Rpim | 0.048 | 0.023 | 0.177 |
| Total number of observations | 257929 | 8044 | 36731 |
| Number of reflections | 54790 | ||
| <I/σ(I)> | 7.3 | 10.5 | 3.4 |
| Completeness [%] | 99.9 | 97.8 | 100 |
| Redundancy | 4.7 | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M Bis-Tris, pH 6.5 27% PEG3350 0.1M magnesium chloride |
