6A6K

Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	105.828, 78.571, 106.963
Unit cell angles	90.00, 109.19, 90.00

Refinement procedure

Resolution	39.285 - 2.900
R-factor	0.2039
Rwork	0.201
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yso
RMSD bond length	0.009
RMSD bond angle	1.181
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.083	0.241
Rmeas	0.099	0.301
Rpim	0.054	0.178
Number of reflections	18054	857
<I/σ(I)>	5.7
Completeness [%]	97.6	93.5
Redundancy	3	2.4
CC(1/2)	0.973	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M BIS-TRIS pH6.5, 16 %(w/v) PEG 10K, 3% MetOH