5NU5
Crystal structure of the human bromodomain of EP300 bound to the inhibitor XDM-CBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.920, 82.433, 42.608 |
| Unit cell angles | 90.00, 110.77, 90.00 |
Refinement procedure
| Resolution | 41.220 - 1.600 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.353 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.220 | 41.220 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.051 | 0.026 | 0.419 |
| Rmeas | 0.061 | 0.031 | 0.496 |
| Rpim | 0.033 | 0.018 | 0.263 |
| Total number of observations | 108101 | ||
| Number of reflections | 31598 | ||
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 97.9 | 94.6 | 97.9 |
| Redundancy | 3.4 | 3.4 | 3.5 |
| CC(1/2) | 0.998 | 0.998 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 277 | KSCN, NaBr, PEG 6000, PEG 8000, PEG 10000 |
