2AXA

Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-02-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.726, 66.388, 68.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.910 - 1.800
R-factor	0.21
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Z95 (W741L AR LBD-R-bicalutamide complex)
RMSD bond length	0.005
RMSD bond angle	1.100
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.130	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	22979
Completeness [%]	96.0	70.1
Redundancy	12.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K