6P2B

Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	84.992, 89.547, 107.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 2.300
R-factor	0.1884
Rwork	0.186
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ctb
RMSD bond length	0.008
RMSD bond angle	1.201
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998:000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.630	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	36411	3612
<I/σ(I)>	16.8
Completeness [%]	98.0
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% MPD, 100mM Imidazole, pH 7