7UJ7

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411

Replaces:  6VJ1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-19
Detector	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	58.110, 58.980, 87.880
Unit cell angles	101.83, 90.01, 119.51

Refinement procedure

Resolution	29.220 - 1.680
R-factor	0.2
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufx
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.680	1.680
Rpim	0.031
Number of reflections	105736	4825
<I/σ(I)>	22
Completeness [%]	94.4
Redundancy	3.6
CC(1/2)		0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	PEG 3350, Tris pH 7.5, MgCl2