7RKE

Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol 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	2021-03-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	56.027, 83.943, 58.662
Unit cell angles	90.00, 108.66, 90.00

Refinement procedure

Resolution	33.490 - 1.550
R-factor	0.2377
Rwork	0.236
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cbz
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]	33.490	1.580
High resolution limit [Å]	1.550	1.550
Rpim	0.098
Number of reflections	60986	3904
<I/σ(I)>	15574
Completeness [%]	90.3
Redundancy	3.6
CC(1/2)	1.000	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3,350, MgCl2, pH 8