4QK4

Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	75.000, 75.000, 138.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.119 - 2.810
R-factor	0.2017
Rwork	0.200
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yow
RMSD bond length	0.002
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.119		2.910
High resolution limit [Å]	2.810	6.000	2.810
Rmerge	0.042	0.019	0.656
Number of reflections	10167	1869	1825
<I/σ(I)>	23.72	56.4	2.8
Completeness [%]	99.4	97.3	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	SF-1, 6% PEG 8000, 0.2M MGOAC, 20% ETHYLENE GLYCOL, 0.067MM PIP2, 0.80MM 14-MER EEPSLLKKLLLAPA, NANODROP, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K