1R0O

Crystal Structure of the Heterodimeric Ecdysone Receptor DNA-binding Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2834
Spacegroup name	P 21 21 21
Unit cell lengths	50.370, 59.880, 113.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.240
R-factor	0.232
Rwork	0.232
R-free	0.26400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r0n
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.240	2.240
Rmerge	0.088	0.456
Number of reflections	15928 *
<I/σ(I)>	22	5.8
Completeness [%]	99.6 *	97.8
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	8 *	Zhao, Q., (2000) J.Mol.Biol., 296, 509. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 3350
10	1	2	MES
11	1	2	H2O
2	1	1	Sodium Chloride
3	1	1	DTT
4	1	1	Magnesium Chloride
5	1	1	MES
6	1	1	H2O
7	1	2	PEG 3350
8	1	2	DTT
9	1	2	Magnesium Chloride

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	25 (mM)
2	1	drop	protein	0.9 (mM)
3	1	drop	DNA	0.45 (mM)
4	1	reservoir	PEG3350	18-23 (%)
5	1	reservoir	Tris	25 (mM)
6	1	reservoir		5 (mM)
7	1	reservoir		400 (mM)