7XI0
Crystal structure of CBP bromodomain liganded with CCS150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 197 |
| Detector technology | PIXEL |
| Collection date | 2019-10-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97890 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.540, 33.840, 78.699 |
| Unit cell angles | 90.00, 94.65, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.620 |
| R-factor | 0.1936 |
| Rwork | 0.192 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.830 |
| 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] | 78.440 | 78.440 | 1.650 |
| High resolution limit [Å] | 1.620 | 8.860 | 1.620 |
| Rmerge | 0.084 | 0.075 | 0.270 |
| Rmeas | 0.092 | 0.081 | 0.297 |
| Rpim | 0.038 | 0.030 | 0.122 |
| Total number of observations | 172352 | 1454 | 8648 |
| Number of reflections | 31496 | 234 | 1532 |
| <I/σ(I)> | 12.6 | 21.8 | 5.1 |
| Completeness [%] | 96.2 | 99 | 96.4 |
| Redundancy | 5.5 | 6.2 | 5.6 |
| CC(1/2) | 0.996 | 0.996 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M NaAc, 20% w/v Polyethylene glycol, 3350 PH 7.3 |
