5A7C
Crystal structure of the second bromodomain of human BRD3 in complex with compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.365, 92.013, 64.898 |
| Unit cell angles | 90.00, 95.35, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.900 |
| R-factor | 0.22947 |
| Rwork | 0.228 |
| R-free | 0.25558 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s92 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.160 | 0.770 |
| Number of reflections | 47219 | |
| <I/σ(I)> | 7 | 1.4 |
| Completeness [%] | 99.5 | 94.6 |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 19% PEG 6000, 0.1M HEPES PH 7.0 |
