3IXP

Crystal structure of the ecdysone receptor bound to BYI08346

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.93
Spacegroup name	P 3 2 1
Unit cell lengths	147.875, 147.875, 59.776
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.850
Rwork	0.221
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r20
RMSD bond length	0.008
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.850
Number of reflections	17801
<I/σ(I)>	39.8
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	PEG 1000, PEG 8000, MgCl2 , Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K