1N4H

Characterization of ligands for the orphan nuclear receptor RORbeta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-11
Detector	MARRESEARCH
Wavelength(s)	0.976205
Spacegroup name	P 21 21 21
Unit cell lengths	52.199, 58.125, 106.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.217
R-free	0.23300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4w
RMSD bond length	0.007 *
RMSD bond angle	1.120 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.045 *	0.175 *
Number of reflections	19344 *
Completeness [%]	100.0 *
Redundancy	6.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8	295	Potier, N., (2003) Protein Sci., 12, 725. *