4RWV

Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	C 1 2 1
Unit cell lengths	71.616, 50.187, 93.608
Unit cell angles	90.00, 109.22, 90.00

Refinement procedure

Resolution	29.463 - 1.859
R-factor	0.1726
Rwork	0.171
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yok
RMSD bond length	0.012
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012 BUILT=20130617)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.463		1.920
High resolution limit [Å]	1.860	3.980	1.850
Rmerge	0.062	0.051	0.577
Number of reflections	25922	5068	4331
<I/σ(I)>	11.72	25.2	1.9
Completeness [%]	95.1	96.3	78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	LRH-1/PIP3, 20% PEG 4K, 0.2M NaOAc, 0.1M Tris (8.5), 0.036mM PIP3, 0.90mM 15-mer PRQGSILYSLLTSSK, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 298K