7OFI

Ligand complex of RORg LBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-20
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	61.900, 61.900, 159.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.850 - 1.953
R-factor	0.1865
Rwork	0.184
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0l
RMSD bond length	0.008
RMSD bond angle	0.840
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	159.000	2.000
High resolution limit [Å]	1.950	1.950
Rpim		0.490
Number of reflections	23376	1604
<I/σ(I)>	26
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	soaking