7AXG

Crystal structure of the hPXR-LBD in complex with tributyltin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8731
Spacegroup name	P 43 21 2
Unit cell lengths	92.320, 92.320, 86.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.290 - 2.700
R-factor	0.2117
Rwork	0.209
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ilg
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.18_3845)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.290	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	10746	761
<I/σ(I)>	11.8	3.1
Completeness [%]	99.8	99.9
Redundancy	8.5	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	50 - 100 mM imidazole 8 - 14% isopropanol