3B68

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2005-02-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.725, 66.575, 68.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.750 - 1.900
R-factor	0.234
Rwork	0.234
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2axa
RMSD bond length	0.007
RMSD bond angle	1.100
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.750
High resolution limit [Å]	1.900
Rmerge	0.159
Number of reflections	20381
<I/σ(I)>	6.6
Completeness [%]	100.0
Redundancy	7.03

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