6NWT

RORgamma Ligand Binding Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97741
Spacegroup name	P 61
Unit cell lengths	99.590, 99.590, 129.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.121 - 2.350
R-factor	0.1823
Rwork	0.181
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qm0
RMSD bond length	0.004
RMSD bond angle	0.626
Data reduction software	iMOSFLM
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.750	28.750
High resolution limit [Å]	2.350	2.350
Number of reflections	30310
<I/σ(I)>	21.07
Completeness [%]	99.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	100-250 mM ammonium sulfate, 10-25% PEG3350, 100 mM Tris, pH 8.0