5T4V
Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 47.086, 60.145, 51.948 |
Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
Resolution | 25.590 - 1.650 |
R-factor | 0.21204 |
Rwork | 0.210 |
R-free | 0.25044 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lc2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.586 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.590 | 1.670 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.045 | 0.500 |
Number of reflections | 87628 | |
<I/σ(I)> | 16.5 | 2.9 |
Completeness [%] | 99.0 | 97.6 |
Redundancy | 5.1 | 4.7 |
CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.1 m bis-tris propane pH 8.5, 0.2 M sodium formate, 20% PEG 3350, 10% ethylene glycol |