1QKN

RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-30
Detector	MARRESEARCH
Spacegroup name	P 41 2 2
Unit cell lengths	67.550, 67.550, 148.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.250
Rwork	0.204
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ere
RMSD bond length	0.014
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.077 *	0.467 *
Total number of observations	97187 *
Number of reflections	16904
<I/σ(I)>	8.5	2
Completeness [%]	99.0	98.7
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8	18 *	drop consists of 1:2 mixture of well and protein solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-11 (mg/ml)
2	1	reservoir	PEG4000	7.5 (%(w/v))
3	1	reservoir	ammonium acetate	0.1 (M)
4	1	reservoir	dimethylformamide	3 (%(v/v))
5	1	reservoir	sodium acetate	25 (mM)