7OFK

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	2015-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	61.050, 61.050, 159.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.510 - 1.610
R-factor	0.2015
Rwork	0.200
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lol
RMSD bond length	0.008
RMSD bond angle	0.870
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]	48.510	1.670
High resolution limit [Å]	1.610	1.610
Number of reflections	40191	3855
<I/σ(I)>	16.4
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	0.999	0.552

Crystallization Conditions

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