6I66

Crystal structure of human ERRg LBD in complex with 4-sec-butylphenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9798
Spacegroup name	P 41 21 2
Unit cell lengths	64.350, 64.350, 135.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.706 - 1.600
R-factor	0.1757
Rwork	0.174
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zbs
RMSD bond length	0.006
RMSD bond angle	0.987
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.150	1.690
High resolution limit [Å]	1.600	1.600
Rmeas	0.058	0.600
Number of reflections	71858	5511
<I/σ(I)>	18.7	4.2
Completeness [%]	100.0	100
Redundancy	12.2	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0-100 mM Sodium acetate 100 mM Tris 23-26% PEG8000