9B2B

Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Complete Estrogen Receptor Antagonists that Favors Tetramer Formation

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-15
Detector	MAR CCD 300 mm
Wavelength(s)	0.99
Spacegroup name	C 1 2 1
Unit cell lengths	102.097, 57.419, 174.803
Unit cell angles	90.00, 102.16, 90.00

Refinement procedure

Resolution	49.190 - 2.080
R-factor	0.262
Rwork	0.259
R-free	0.31820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.080	2.080
Rpim	0.043	0.865
Number of reflections	53471	2832
<I/σ(I)>	464
Completeness [%]	95.1
Redundancy	3.1
CC(1/2)	0.990	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium acetate