5YSO

Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434

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	2016-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	105.886, 79.828, 106.714
Unit cell angles	90.00, 107.81, 90.00

Refinement procedure

Resolution	43.711 - 2.501
R-factor	0.1992
Rwork	0.197
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s9q
RMSD bond length	0.008
RMSD bond angle	0.938
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.591
High resolution limit [Å]	2.501	2.501
Rpim	0.043	0.141
Number of reflections	28403
<I/σ(I)>	2.6	8.2
Completeness [%]	96.5	76.67
Redundancy	6.8	6.9
CC(1/2)	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Ammonium fluoride, 20%(w/v) PEG 3350, 10mM Barium chloride dihydrate