7NFB

ER-PRS*(+) (Y537S) in complex with genistein 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	55.854, 81.526, 58.464
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	27.730 - 1.330
R-factor	0.1427
Rwork	0.142
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nel
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	XDS
Phasing software	PHASER (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.730	1.378
High resolution limit [Å]	1.330	1.330
Rmerge	0.058	2.094
Rmeas	0.063	2.269
Rpim	0.024	0.863
Number of reflections	112549	11151
<I/σ(I)>	15.87	0.84
Completeness [%]	98.9	98.49
Redundancy	6.8	6.8
CC(1/2)	1.000	0.360

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