8FH1

Crystal structure of mutant Androgen Receptor ligand binding domain 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	56.351, 66.064, 73.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.030 - 1.690
R-factor	0.2012
Rwork	0.199
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.085
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	1.800
High resolution limit [Å]	1.690	5.070	1.690
Rmerge	0.038	0.024	0.908
Rmeas	0.045	0.028	1.051
Number of reflections	58240	2200	9330
<I/σ(I)>	14.93
Completeness [%]	99.2
Redundancy	3.85
CC(1/2)	0.999	0.999	0.746

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