6LIT

Estrogen-related receptor beta(ERR2) in complex with BPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-07-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	44.951, 45.027, 57.368
Unit cell angles	84.31, 80.02, 79.31

Refinement procedure

Resolution	27.120 - 2.000
R-factor	0.1928
Rwork	0.190
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e2r
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.041	0.030	0.119
Rmeas	0.058	0.042	0.169
Rpim	0.041	0.030	0.119
Total number of observations	89330
Number of reflections	25883	2525	2602
<I/σ(I)>	11
Completeness [%]	89.8	88.1	91.8
Redundancy	1.7	1.8	1.8
CC(1/2)		0.994	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	300mM NH4Cl, 10% PEG 4000