5LPL
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
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 | 2016-02-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.799 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.838, 35.438, 40.503 |
| Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
| Resolution | 32.907 - 1.650 |
| R-factor | 0.1648 |
| Rwork | 0.163 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo-CBP |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.330 | 44.330 | 1.010 |
| High resolution limit [Å] | 0.990 | 5.420 | 0.990 |
| Rmerge | 0.243 | 0.035 | |
| Rmeas | 0.290 | ||
| Rpim | 0.156 | ||
| Total number of observations | 151742 | ||
| Number of reflections | 47457 | ||
| <I/σ(I)> | 2.9 | ||
| Completeness [%] | 67.4 | 98 | 100 |
| Redundancy | 3.2 | 3.4 | 1 |
| CC(1/2) | 0.994 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | NaCl, PEG 3350 |
