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 |