1KV6

X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	130
Detector technology	CCD
Collection date	2001-01-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9340
Spacegroup name	P 43 21 2
Unit cell lengths	83.317, 83.317, 240.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.700
Rwork	0.233
R-free	0.26700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBD ENTRY 3ERD
RMSD bond length	0.014
RMSD bond angle	1.513
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.810
High resolution limit [Å]	2.700	2.700
Rmerge	0.049 *	0.148 *
Number of reflections	23306
Completeness [%]	96.7	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	4 *	Tris.HCl, ammonium sulfate, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)	pH8.0
3	1	reservoir	ammonium sulfate	1.5 (M)
4	1	reservoir	glycerol	15 (%)