5MKU

Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	P 32 2 1
Unit cell lengths	77.650, 77.650, 81.241
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.417 - 1.780
R-factor	0.1494
Rwork	0.148
R-free	0.17720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ec9
RMSD bond length	0.018
RMSD bond angle	1.358
Data reduction software	iMOSFLM (7.2.0)
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.420	25.420	1.820
High resolution limit [Å]	1.780	9.080	1.780
Rmerge	0.122	0.020	0.685
Rmeas	0.130
Rpim	0.044
Total number of observations	237809
Number of reflections	27516
<I/σ(I)>	13.1
Completeness [%]	99.6	96.1	94.1
Redundancy	8.6	6.4	4.7
CC(1/2)	0.997	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M PIPES, pH 7.0, 0.1M NaCl, 22% PEG 2K MME