8RM6

Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-14
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 2 21 2
Unit cell lengths	37.029, 95.359, 115.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 2.050
R-factor	0.2225
Rwork	0.221
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS (DECEMBER 2003 VERSION)
Data scaling software	Aimless (CCP4Interface 7.1.018)
Phasing software	PHASER (CCP4Interface 7.1.018)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.350	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.239	2.509
Rmeas	0.242	2.539
Rpim	0.033	0.386
Number of reflections	26537	1972
<I/σ(I)>	19.9	2.5
Completeness [%]	99.9	99.4
Redundancy	51.3	42.8
CC(1/2)	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M sodium hepes pH7.5,15% (w/v) peg 20000