5APJ

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	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	61.950, 61.950, 159.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.810 - 2.080
R-factor	0.2002
Rwork	0.198
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0l
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.210
Number of reflections	19557
<I/σ(I)>	9.8	1.8
Completeness [%]	100.0	100
Redundancy	12.7	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1