5NJ8
Structural basis for aryl hydrocarbon receptor mediated gene activation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-28 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.476 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 91.321, 91.321, 464.914 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.830 - 3.300 |
| R-factor | 0.2942 |
| Rwork | 0.292 |
| R-free | 0.33270 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.678 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.490 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.078 | 0.662 |
| Number of reflections | 32653 | 5197 |
| <I/σ(I)> | 7.82 | 4.11 |
| Completeness [%] | 98.2 | 98.2 |
| Redundancy | 18 | 16.5 |
| CC(1/2) | 0.997 | 0.979 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 10 mM HEPES/NaOH pH 6.8, 18% PEG3350, 200 mM ammonium formate |
