7XH6
Crystal structure of CBP bromodomain liganded with CCS1477
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 | 48.457, 33.713, 78.342 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 78.030 - 1.750 |
| R-factor | 0.1913 |
| Rwork | 0.190 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.672 |
| 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] | 78.030 | 19.620 | 1.780 |
| High resolution limit [Å] | 1.750 | 8.920 | 1.750 |
| Rmerge | 0.054 | 0.029 | 0.612 |
| Rmeas | 0.059 | 0.031 | 0.673 |
| Rpim | 0.023 | 0.013 | 0.275 |
| Total number of observations | 1127 | 7985 | |
| Number of reflections | 25492 | 202 | 1402 |
| <I/σ(I)> | 15.9 | 38.2 | 2.5 |
| Completeness [%] | 98.8 | 90.3 | 95.8 |
| Redundancy | 6.5 | 5.6 | 5.7 |
| CC(1/2) | 0.999 | 0.999 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M HEPES pH 7.5, 2% v/v Tacsimate pH 7.0, 20% w/v Polyethylene glycol 3350 |
