6R7A

Ligand complex of RORg LBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	P 41 21 2
Unit cell lengths	62.320, 62.320, 157.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.070 - 2.130
R-factor	0.202
Rwork	0.201
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoBUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.210
High resolution limit [Å]	2.130	2.130
Rmerge	0.094
Number of reflections	18263	1756
<I/σ(I)>	17.6
Completeness [%]	100.0
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	~1.3M NaAcetate pH 7 0.1M Bis-Tris pH 7