7XHE
Crystal structure of CBP bromodomain liganded with CCS151
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 197 |
| Detector technology | PIXEL |
| Collection date | 2021-06-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.580, 33.770, 78.350 |
| Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
| Resolution | 78.090 - 1.590 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxh |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.895 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.090 | 48.420 | 1.620 |
| High resolution limit [Å] | 1.590 | 8.730 | 1.590 |
| Rmerge | 0.104 | 0.091 | 0.449 |
| Rmeas | 0.116 | 0.099 | 0.504 |
| Rpim | 0.050 | 0.038 | 0.224 |
| Total number of observations | 1363 | 7734 | |
| Number of reflections | 29393 | 239 | 1607 |
| <I/σ(I)> | 7.8 | 15.9 | 2.4 |
| Completeness [%] | 86.1 | 99.5 | 95.7 |
| Redundancy | 4.9 | 5.7 | 4.8 |
| CC(1/2) | 0.992 | 0.990 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3350 |
