1QKT

MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE
Synchrotron site	LURE
Temperature [K]	110
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	58.610, 58.610, 276.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.223
Rwork	0.223
R-free	0.27300
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	18.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.4)
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.000
Rmerge	0.051 *	0.330 *
Number of reflections	20231
Completeness [%]	99.9
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.9 *	4 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	reservoir	PEG8000	12 (%)
3	1	reservoir		0.4 (M)
4	1	reservoir	imidazol	100 (mM)