8FGZ

Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	56.744, 66.080, 73.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.010 - 1.610
R-factor	0.1982
Rwork	0.197
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.921
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	1.700
High resolution limit [Å]	1.600	4.810	1.610
Rmerge	0.030	0.018	0.876
Rmeas	0.035	0.020	1.030
Number of reflections	68894	2606	11011
<I/σ(I)>	18.28
Completeness [%]	99.4
Redundancy	3.6
CC(1/2)	1.000	1.000	0.641

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