1Y9R

Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone and harboring the S810L mutation responsible for a severe form of hypertension

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	69
Detector technology	CCD
Collection date	2003-11-02
Detector	MARRESEARCH
Wavelength(s)	0.979583
Spacegroup name	P 31
Unit cell lengths	120.284, 120.284, 41.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.300 - 1.960
R-factor	0.2291
Rwork	0.229
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3D HOMOLOGY MODEL OF THE HUMAN MINERALOCORTICOID RECEPTOR LIGAND BINDING DOMAIN CONSTRUCTED USING THE PROGESTERONE RECEPTOR LIGAND BINDING DOMAIN STRUCTURE
RMSD bond length	0.013
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	BEAST
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.300	2.070
High resolution limit [Å]	1.960	1.960
Rmerge	0.094	0.431
Number of reflections	40302
<I/σ(I)>	6.6	2.1
Completeness [%]	97.5	86.4
Redundancy	3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K