6FGQ

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 61
Unit cell lengths	99.550, 99.550, 129.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.640 - 2.370
R-factor	0.214
Rwork	0.212
R-free	0.24200
RMSD bond length	0.010
RMSD bond angle	1.140
Refinement software	BUSTER (2.11.7 PACIOREK)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.770	2.450
High resolution limit [Å]	2.370	2.370
Rmerge	0.094
Number of reflections	29472
<I/σ(I)>	14
Completeness [%]	99.8
Redundancy	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	273	1.3M LiSO4 0.1M MgCl2 0.1M Hepes pH 7