44ID

Drosophila AHR PAS-B M284C/Y336L mutant in complex with alpha-naphthoflavone

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	2025-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.975
Spacegroup name	P 41 21 2
Unit cell lengths	60.307, 60.307, 120.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.760 - 1.510
Rwork	0.172
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.111
Data reduction software	HKL-3000 (v721)
Data scaling software	HKL-3000 (v721)
Phasing software	PHASER (v2.8.3)
Refinement software	PHENIX (("2.1_6048": ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.760	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	32818	1653
<I/σ(I)>	15.6
Completeness [%]	91.8
Redundancy	6.9
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris-HCl PH7.0, 0.2 M NaCl, and 0.8 M sodium citrate