2OZ7

Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-07-21
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	56.504, 65.820, 71.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.960 - 1.800
R-factor	0.253
Rwork	0.253
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2axa
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.960	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.298
Number of reflections	24416
<I/σ(I)>	8.8	3.1
Completeness [%]	96.2	71.8
Redundancy	2.96	2.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.6 M sodium citrate, 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K