7VNI
AHR-ARNT PAS-B heterodimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.975 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.030, 55.553, 77.095 |
| Unit cell angles | 90.00, 103.05, 90.00 |
Refinement procedure
| Resolution | 44.908 - 1.997 |
| R-factor | 0.1816 |
| Rwork | 0.179 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f1o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.825 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Number of reflections | 36452 | 1927 |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 96.8 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.996 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium arsenate (pH 6.5), 0.2 M MgCl2, 2 M (NH4)2SO4 |
