5G46

Ligand complex of RORg LBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Detector	PILATUS
Spacegroup name	P 41 21 2
Unit cell lengths	61.960, 61.960, 154.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.150 - 1.760
R-factor	0.1872
Rwork	0.186
R-free	0.21690
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.150	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.070
Number of reflections	30840
<I/σ(I)>	21.1	1.8
Completeness [%]	100.0	100
Redundancy	12.6	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1