3RLJ

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2005-03-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.742, 66.795, 69.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.790 - 1.900
R-factor	0.221
Rwork	0.221
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2axa
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

Data quality characteristics

	Overall
Low resolution limit [Å]	23.790
High resolution limit [Å]	1.900
Number of reflections	20682
Completeness [%]	99.0

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