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