7XVY

Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.194, 89.014, 101.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.443 - 1.544
Rwork	0.206
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2giu
RMSD bond length	0.011
RMSD bond angle	1.738
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.443	1.570
High resolution limit [Å]	1.540	1.540
Number of reflections	69739	511
<I/σ(I)>	18.7
Completeness [%]	99.6
Redundancy	11.6
CC(1/2)	0.998	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	16-20% PEG3350, 100 mM BisTris pH6.5, 200 mM Magnesium Acetate