5EPB
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.258, 79.258, 139.121 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.858 - 1.500 |
| R-factor | 0.1681 |
| Rwork | 0.167 |
| R-free | 0.18570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.639 | 48.858 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.023 | 0.423 | |
| Rmeas | 0.038 | ||
| Rpim | 0.009 | 0.006 | 0.097 |
| Total number of observations | 790978 | 26065 | 111145 |
| Number of reflections | 41688 | ||
| <I/σ(I)> | 41.9 | 97.8 | 7.1 |
| Completeness [%] | 99.2 | 99.7 | 96.6 |
| Redundancy | 19 | 16.9 | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
