2NXX

Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A

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
Collection date	2005-09-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93400
Spacegroup name	P 1 21 1
Unit cell lengths	77.540, 89.628, 160.247
Unit cell angles	90.00, 91.97, 90.00

Refinement procedure

Resolution	50.000 - 2.750
R-factor	0.249
Rwork	0.249
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PonA-bound HvEcR/HsRXRa (no H12) BtEcR/BtUSP (no H12)
RMSD bond length	0.008
RMSD bond angle	1.568
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.069	0.238
Number of reflections	56221
<I/σ(I)>	7.8	3.4
Completeness [%]	98.1	95
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	6% PEG 4000, 50 mM Pipes (pH=6.5), 50 mM NaCl, 10 mM Hepes (pH=7.5), 2 mM TCEP against a reservoir containing 12% PEG 4000, 100 mM Pipes (pH=6.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K