6I64

Crystal structure of human ERRg LBD in complex with bisphenol-E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 41 21 2
Unit cell lengths	64.320, 64.320, 138.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 1.910
R-factor	0.1994
Rwork	0.197
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zbs
RMSD bond length	0.007
RMSD bond angle	0.799
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.130	1.950
High resolution limit [Å]	1.910	1.910
Rmeas	0.073	0.636
Number of reflections	23275	1509
<I/σ(I)>	22.4	3.2
Completeness [%]	98.1	87.2
Redundancy	7.9	7.6

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