5MYG
Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 37.140, 123.716, 137.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.877 - 2.300 |
| R-factor | 0.2498 |
| Rwork | 0.247 |
| R-free | 0.30710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lc2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.344 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.880 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.116 | 0.678 |
| Rpim | 0.051 | 0.292 |
| Number of reflections | 28990 | 4116 |
| <I/σ(I)> | 11.4 | 3.1 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 6.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M ammonium acetate, 17% PEG 10K, 0.1 M bis-tris pH 5.5 |
