7NEL

ER-PRS*(+) (Y537S) in complex with estradiol and SRC-2 coactivator peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	55.800, 82.770, 58.690
Unit cell angles	90.00, 108.82, 90.00

Refinement procedure

Resolution	26.410 - 1.450
R-factor	0.1495
Rwork	0.149
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uud
RMSD bond length	0.006
RMSD bond angle	0.764
Data reduction software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.410	1.502
High resolution limit [Å]	1.450	1.450
Rmerge	0.094	3.277
Rmeas	0.099	3.427
Rpim	0.029	0.992
Number of reflections	88797	8813
<I/σ(I)>	12.45	0.83
Completeness [%]	99.4	99.02
Redundancy	11.3	11.6
CC(1/2)	0.999	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	200 mM NaCl, 100 mM Tris pH 8.5 and 25% polyethylene glycol 3,350