7APO

Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	53.694, 47.573, 120.999
Unit cell angles	90.00, 96.17, 90.00

Refinement procedure

Resolution	46.960 - 2.400
R-factor	0.1877
Rwork	0.185
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kmr
RMSD bond length	0.009
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.960	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	0.251
Number of reflections	22707	2250
<I/σ(I)>	9.35
Completeness [%]	93.8
Redundancy	2.4
CC(1/2)	0.997	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Lithium Chloride, 0.1M MES pH6.0, 20% PEG6000