1GWQ

HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-11-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	54.820, 63.620, 74.720
Unit cell angles	90.00, 98.34, 90.00

Refinement procedure

Resolution	20.000 - 2.450
Rwork	0.206
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ere
RMSD bond length	0.011 *
RMSD bond angle	0.036 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.066	0.302
Total number of observations	182603 *
Number of reflections	19048	895 *
<I/σ(I)>	9	8
Completeness [%]	99.5	93.9
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	18 *	6-11% (W/V) PEG 1500, 4% (V/V) DMF, pH 8.50