6K3N

Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with BPA-monoF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	63.666, 63.666, 132.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.860 - 1.970
R-factor	0.2129
Rwork	0.211
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.070
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.970
Number of reflections	19939
<I/σ(I)>	38.2
Completeness [%]	99.8
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5,