4Q50

The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	298.15
Detector technology	CCD
Collection date	2013-10-18
Detector	MAR CCD 130 mm
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	104.651, 165.244, 191.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.070
R-factor	0.21903
Rwork	0.216
R-free	0.28277
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.815
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Number of reflections	9874
Completeness [%]	96.7
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298.15	0.2 M Ammonium Sulfate, 10% glycerol, 100 mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K