3B65

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2005-02-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.639, 66.712, 69.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.320 - 1.800
R-factor	0.242
Rwork	0.242
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	26.320
High resolution limit [Å]	1.800
Rmerge	0.144
Number of reflections	23944
<I/σ(I)>	12.1
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K