6FR0
Crystal structure of CREBBP bromodomain complexd with PB08
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 | 2017-10-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000041 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.309, 43.884, 51.425 |
| Unit cell angles | 90.00, 99.21, 90.00 |
Refinement procedure
| Resolution | 39.121 - 1.500 |
| R-factor | 0.1797 |
| Rwork | 0.178 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.880 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.417 |
| Number of reflections | 35942 | 1776 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 98.8 | 98.9 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Hepes, pH7.5, 0.2 M LiSO4, 25% PEG3350 |
