6J1L

Crystal Structure Analysis of the ROR gamma(C455E)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-01-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 61
Unit cell lengths	110.140, 110.140, 114.231
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.606 - 2.300
R-factor	0.2035
Rwork	0.202
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ayg
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.610	49.610	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.111	0.028	2.067
Rmeas	0.114	0.029	2.125
Rpim	0.026	0.007	0.490
Total number of observations	659690
Number of reflections	34962	634	3389
<I/σ(I)>	13.2
Completeness [%]	100.0	99.6	100
Redundancy	18.9	16.2	18.6
CC(1/2)	0.999	1.000	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG8000, 0.2M (NH4)2SO4,0.1M BisTris, PH7.2