5APH

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	61.850, 61.850, 159.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.820 - 1.540
R-factor	0.2139
Rwork	0.212
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0l
RMSD bond length	0.010
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	1.590
High resolution limit [Å]	1.540	1.540
Rmerge	0.100
Number of reflections	43870
<I/σ(I)>	14.6	1.3
Completeness [%]	94.3	65.8
Redundancy	12.7	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1