5CJ6

Crystal Structure of a Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	95
Detector technology	CCD
Collection date	2011-08-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	55.803, 65.997, 73.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.070
R-factor	0.18928
Rwork	0.187
R-free	0.22171
RMSD bond length	0.010
RMSD bond angle	1.045
Data reduction software	MOSFLM
Phasing software	PHASER
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.080
High resolution limit [Å]	2.070
Number of reflections	15989
<I/σ(I)>	9.1
Completeness [%]	99.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	15% PEG 3350, 100mM Magnesium Formate dihydrate