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 |
