8FGY

Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A 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	2021-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	56.413, 66.096, 73.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 2.200
R-factor	0.2001
Rwork	0.195
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.938
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]	49.110	56.410	2.020
High resolution limit [Å]	1.910	5.690	1.910
Rmerge	0.510	0.333	4.495
Rmeas	0.577	0.372	5.129
Number of reflections	40437	1563	5927
<I/σ(I)>	2.56
Completeness [%]	97.6
Redundancy	4.64
CC(1/2)	0.862	0.943	0.238

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