3B5R

Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	193
Detector technology	IMAGE PLATE
Collection date	2005-02-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.889, 66.803, 69.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.800
R-factor	0.233
Rwork	0.233
R-free	0.27200
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]	22.000
High resolution limit [Å]	1.800
Rmerge	0.129
Number of reflections	23820
<I/σ(I)>	10.4
Completeness [%]	98.3
Redundancy	9.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K