7RRZ

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-22
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	53.546, 58.915, 93.457
Unit cell angles	87.24, 75.18, 62.93

Refinement procedure

Resolution	32.860 - 1.830
R-factor	0.2459
Rwork	0.245
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxs
Data reduction software	AutoProcess
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.060	2.020
High resolution limit [Å]	1.830	1.830
Number of reflections	54405	2720
<I/σ(I)>	11.2
Completeness [%]	87.5
Redundancy	7.8
CC(1/2)	0.995	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl