2AX6

Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With Hydroxyflutamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-02-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.782, 65.965, 69.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.030 - 1.500
R-factor	0.246
Rwork	0.246
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Z95 (W741L AR LBD-R-bicalutamide complex)
RMSD bond length	0.006
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]	18.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.153	0.480
Number of reflections	39987
Completeness [%]	97.4	85.2
Redundancy	6.04	4.88

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