4QJR

Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 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	2013-07-02
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	74.850, 74.850, 139.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.165 - 2.400
R-factor	0.1914
Rwork	0.190
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yow
RMSD bond length	0.002
RMSD bond angle	0.589
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.165	29.165	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge		0.026	0.710
Total number of observations		2264	10120
Number of reflections	16205
<I/σ(I)>	24.6	15	1.1
Completeness [%]	99.6	94.6	98.5
Redundancy	11.9	10.4	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% PEG 8K, 0.025M MGOAC, 30% GLYCEROL, 0.067MM PIP3, 0.80MM 14MER EEPSLLKKLLLAPA, NANODROP, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K