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 |