7JHD

Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide

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	2020-02-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	55.030, 82.436, 58.677
Unit cell angles	90.00, 110.75, 90.00

Refinement procedure

Resolution	30.899 - 2.402
R-factor	0.2254
Rwork	0.223
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t1z
RMSD bond length	0.002
RMSD bond angle	0.495
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.899	2.490
High resolution limit [Å]	2.402	2.402
Rpim	0.140
Number of reflections	26664	1321
<I/σ(I)>	172
Completeness [%]	92.8
Redundancy	2.5
CC(1/2)		0.561

Crystallization Conditions

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