7XNE
Crystal structure of CBP bromodomain liganded with Y08284
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 21 21 21 |
| Unit cell lengths | 47.385, 63.267, 97.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.040 - 2.170 |
| R-factor | 0.2018 |
| Rwork | 0.199 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.625 |
| Data reduction software | XDS |
| 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] | 53.040 | 19.350 | 2.240 |
| High resolution limit [Å] | 2.170 | 8.950 | 2.170 |
| Rmerge | 0.064 | 0.036 | 0.935 |
| Rmeas | 0.068 | 0.038 | 0.989 |
| Rpim | 0.022 | 0.013 | 0.317 |
| Total number of observations | 1786 | 13009 | |
| Number of reflections | 16053 | 236 | 1375 |
| <I/σ(I)> | 17.7 | 43.1 | 2.4 |
| Completeness [%] | 99.8 | 89.1 | 99.9 |
| Redundancy | 9.2 | 7.6 | 9.5 |
| CC(1/2) | 0.999 | 0.999 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethylene glycol 8,000 |
