7BJV

Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-05
Detector	MARRESEARCH
Wavelength(s)	0.7749
Spacegroup name	P 32 2 1
Unit cell lengths	147.035, 147.035, 162.306
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.790 - 3.050
R-factor	0.1986
Rwork	0.196
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r20
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.790	3.159
High resolution limit [Å]	3.050	3.050
Rmerge	0.085	0.469
Number of reflections	37522	3604
<I/σ(I)>	27.48	5.49
Completeness [%]	95.9	93.97
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	20% PEG 3350, and 0.2 M MgCl2