6DB0
N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.316, 55.796, 68.363 |
| Unit cell angles | 90.00, 94.58, 90.00 |
Refinement procedure
| Resolution | 31.398 - 1.700 |
| R-factor | 0.1652 |
| Rwork | 0.164 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uyh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.881 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 4.280 | 1.700 |
| Rmerge | 0.075 | 0.047 | 0.724 |
| Rmeas | 0.088 | 0.054 | 0.846 |
| Rpim | 0.044 | 0.026 | 0.429 |
| Total number of observations | 181584 | ||
| Number of reflections | 46199 | 2974 | 2868 |
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 97.7 | 97.5 | 98.4 |
| Redundancy | 3.9 | 4 | 4 |
| CC(1/2) | 0.994 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | PEG 3350, ammonium sulfate, HEPES |
