6ESN

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
Collection date	2014-09-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	62.250, 62.250, 157.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.390 - 1.840
R-factor	0.2142
Rwork	0.212
R-free	0.26070
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.5 PACIOREK)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.810
High resolution limit [Å]	1.840
Number of reflections	26861
<I/σ(I)>	15.3
Completeness [%]	96.8
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	~1.3M NaFormate 0.1M Hepes pH 7-7.5