3B66

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2005-02-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.739, 66.597, 69.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.980 - 1.650
R-factor	0.213
Rwork	0.213
R-free	0.24200
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 (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.980
High resolution limit [Å]	1.650
Rmerge	0.089
Number of reflections	30834
<I/σ(I)>	10.9
Completeness [%]	99.2
Redundancy	5.98

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