9FZI

A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.967697
Spacegroup name	P 21 21 21
Unit cell lengths	85.420, 89.030, 106.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.510 - 2.700
R-factor	0.1958
Rwork	0.194
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.510	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	22821	1689
<I/σ(I)>	11.98	2.7
Completeness [%]	99.3	99.8
Redundancy	6.8	7.2
CC(1/2)	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	100 mM Imidazole 25 - 30% MPD