5BT3
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
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 | P 61 |
| Unit cell lengths | 53.431, 53.431, 77.003 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.270 - 1.050 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i3j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.270 | 1.100 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.069 | 0.374 |
| Number of reflections | 56052 | |
| <I/σ(I)> | 21 | 4.6 |
| Completeness [%] | 95.9 | 75 |
| Redundancy | 10.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.1 M tri-sodium citrate dihydrate pH 5.6, 20% iso-propanol, 20% PEG 4000 |
