7XIJ
Crystal structure of CBP bromodomain liganded with Y08175
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 | 2018-11-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97736 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.890, 56.890, 80.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.270 - 1.820 |
| R-factor | 0.1946 |
| Rwork | 0.193 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.479 |
| 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] | 80.620 | 80.620 | 1.860 |
| High resolution limit [Å] | 1.820 | 9.090 | 1.820 |
| Rmerge | 0.067 | 0.039 | 0.244 |
| Rmeas | 0.073 | 0.042 | 0.262 |
| Rpim | 0.027 | 0.016 | 0.094 |
| Total number of observations | 101099 | 936 | 6154 |
| Number of reflections | 14087 | 145 | 820 |
| <I/σ(I)> | 17.9 | 28 | 6.5 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.2 | 6.5 | 7.5 |
| CC(1/2) | 0.997 | 0.998 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M MgCl2 0.1M TrsHCl 30% PEG4000 PH7.5 |
