9EBG

Crystal structure of the hERalpha LBD complexed with androstenediol and SRC 2-2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 31
Unit cell lengths	83.401, 83.401, 58.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.970 - 2.020
R-factor	0.207
Rwork	0.205
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.369
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.970	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.084	0.872
Rmeas	0.088	0.927
Rpim	0.028	0.311
Total number of observations	293159	18882
Number of reflections	29803	2176
<I/σ(I)>	14.3	2.3
Completeness [%]	99.7
Redundancy	9.8	8.7
CC(1/2)	0.999	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	.1 M PIPES pH 7, 7% w/v PEG 8000