8FH2

Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	56.883, 65.860, 72.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 1.590
R-factor	0.1951
Rwork	0.194
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (v1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	200.000	200.000	1.690
High resolution limit [Å]	1.590	4.770	1.590
Rmerge	0.057	0.041	0.939
Rmeas	0.063	0.046	1.056
Number of reflections	70317	2634	11348
<I/σ(I)>	13.77
Completeness [%]	99.8
Redundancy	4.82
CC(1/2)	0.998	0.997	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol