9J6O
Crystal Structure of bromodomain of human CBP in complex with the inhibitor CZL-046
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-06-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 38.379, 60.637, 61.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.070 - 2.670 |
| R-factor | 0.23803 |
| Rwork | 0.234 |
| R-free | 0.28962 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xh6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.306 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MERLOT |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.180 | 2.800 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.162 | 0.654 |
| Rmeas | 0.178 | 0.732 |
| Rpim | 0.073 | 0.323 |
| Total number of observations | 25281 | 2861 |
| Number of reflections | 4375 | 564 |
| <I/σ(I)> | 9.3 | 2.7 |
| Completeness [%] | 99.6 | |
| Redundancy | 5.8 | 5.1 |
| CC(1/2) | 0.992 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Potassium sulfate, 20% w/v Polyethylene glycol 3,350 |
