7XNG
Crystal structure of CBP bromodomain liganded with Y08092(31g)
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 | 2018-11-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97906 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.119, 75.309, 123.489 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.740 - 2.350 |
| R-factor | 0.1938 |
| Rwork | 0.191 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.601 |
| 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] | 61.740 | 61.740 | 2.430 |
| High resolution limit [Å] | 2.350 | 9.100 | 2.350 |
| Rmerge | 0.161 | 0.121 | 0.558 |
| Rmeas | 0.186 | 0.138 | 0.643 |
| Rpim | 0.091 | 0.064 | 0.311 |
| Total number of observations | 35760 | 898 | 3154 |
| Number of reflections | 9981 | 228 | 895 |
| <I/σ(I)> | 5.5 | 8.9 | 2.1 |
| Completeness [%] | 83.8 | 94.6 | 78.5 |
| Redundancy | 3.6 | 3.9 | 3.5 |
| CC(1/2) | 0.967 | 0.965 | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350 0.2M KSCN 0.1M HEPES PH8.5 |
