7AOS

crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 43 21 2
Unit cell lengths	108.283, 108.283, 99.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 2.550
R-factor	0.2109
Rwork	0.205
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xdk + 3kmr
RMSD bond length	0.002
RMSD bond angle	0.510
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]	48.430	2.641
High resolution limit [Å]	2.550	2.550
Number of reflections	19916	1960
<I/σ(I)>	10.83
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24% PEG 3350, 0.2M Na acetate, 0.1M Bis Tris Propane pH 7.0