6EKQ
Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-21 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.999989 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.208, 57.784, 70.446 |
Unit cell angles | 90.00, 108.66, 90.00 |
Refinement procedure
Resolution | 43.886 - 1.650 |
R-factor | 0.1584 |
Rwork | 0.157 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lc2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.033 |
Data reduction software | Mantid |
Data scaling software | ADDREF |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.890 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.046 | 0.345 |
Number of reflections | 32602 | 1588 |
<I/σ(I)> | 18 | 3.4 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.6 | 4.2 |
CC(1/2) | 0.999 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Bis-Tris Propane pH9, 10% EG, 0.15M NaNO3, 25% PEG3350 |