7WNV

Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	53.928, 58.834, 93.062
Unit cell angles	90.31, 105.39, 117.15

Refinement procedure

Resolution	19.670 - 2.300
R-factor	0.2043
Rwork	0.203
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6owc
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.670	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.066
Rmeas	0.077
Rpim	0.040
Number of reflections	41425	41425
<I/σ(I)>	13.56
Completeness [%]	96.0
Redundancy	3.59
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 3350, sodium citrate tribasic dihydrate, magnesium chloride