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