7AX8

Crystal structure of the hPXR-LBD in apo form (P43212 SG)

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	2015-07-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8726
Spacegroup name	P 43 21 2
Unit cell lengths	91.959, 91.959, 85.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.765 - 2.150
R-factor	0.1898
Rwork	0.188
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ilg
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.8.4_1496)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.765	2.230
High resolution limit [Å]	2.150	2.150
Rmeas	0.078	0.652
Number of reflections	20534	2006
<I/σ(I)>	14.9	2.5
Completeness [%]	99.9	100
Redundancy	6.9	6.8

Crystallization Conditions

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