4PF3

Mineralocorticoid receptor ligand-binding domain with compuond 37a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	58.050, 66.365, 74.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.100
R-factor	0.15496
Rwork	0.154
R-free	0.17683
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wfg
RMSD bond length	0.009
RMSD bond angle	1.379
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.140
High resolution limit [Å]	1.100	1.100
Rmerge		0.377
Number of reflections	111992
<I/σ(I)>	12.3	2.1
Completeness [%]	95.1	73.6
Redundancy	4.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris pH 8.0, 23% ethanol