4WHW
Direct photocapture of bromodomains using tropolone chemical probes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.830, 50.591, 57.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.880 - 1.345 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.468 | 1.349 |
| High resolution limit [Å] | 1.345 | 1.345 |
| Rmerge | 0.456 | |
| Number of reflections | 26339 | |
| <I/σ(I)> | 19.1 | 2.3 |
| Completeness [%] | 99.5 | 77.5 |
| Redundancy | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | Screen using Hampton Research HT and Index kits |
