8FH0

Crystal structure of mutant Androgen Receptor ligand binding domain 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	2021-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	56.522, 65.979, 73.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 1.590
R-factor	0.1964
Rwork	0.196
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
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	0.035	0.026	0.620
Rmeas	0.040	0.030	0.722
Number of reflections	70466	2644	11318
<I/σ(I)>	16.48
Completeness [%]	99.7
Redundancy	3.86
CC(1/2)	0.999	0.999	0.820

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