5MMW

Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0331
Spacegroup name	P 43 21 2
Unit cell lengths	67.489, 67.489, 108.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.722 - 2.700
R-factor	0.2048
Rwork	0.200
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ec9
RMSD bond length	0.001
RMSD bond angle	0.383
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.490	67.490	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.155	0.074	0.929
Rmeas	0.159
Rpim	0.035
Total number of observations	154514
Number of reflections	7394
<I/σ(I)>	14
Completeness [%]	100.0	99.9	100
Redundancy	20.9	17	21.2
CC(1/2)	0.999	0.999	0.862

Crystallization Conditions

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