2AX7

Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant 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	2005-01-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.818, 66.371, 69.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.640 - 1.900
R-factor	0.206
Rwork	0.206
R-free	0.24700
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]	30.600	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.115	0.503
Number of reflections	19962
Completeness [%]	97.3	80.8
Redundancy	13.48

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