1Z95

Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2004-11-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.490, 66.470, 72.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.460 - 1.800
R-factor	0.2231
Rwork	0.223
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i37
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	Outer shell
Low resolution limit [Å]	24.500	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.041	0.041
Number of reflections	24747
Completeness [%]	95.7	72.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1 M Hepes, 0.75 M lithium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K