4M4X
Structure and Dimerization Properties of the Aryl Hydrocarbon Receptor (AHR) PAS-A Domain
Experimental procedure
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.173, 88.173, 110.014 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.860 - 2.551 |
R-factor | 0.2022 |
Rwork | 0.200 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.098 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
Rmerge | 0.070 | 0.036 | 0.837 |
Number of reflections | 14659 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 99.5 | 95.5 | 100 |
Redundancy | 9.1 | 8 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100 mM HEPES, 1.6 M Ammonium Sulfate and 2% PEG 1000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |