6G07

RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-26
Detector	PSI PILATUS 6M
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	85.935, 68.058, 96.522
Unit cell angles	90.00, 110.83, 90.00

Refinement procedure

Resolution	19.380 - 1.660
R-factor	0.2153
Rwork	0.214
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nti
RMSD bond length	0.006
RMSD bond angle	0.858
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.380	1.700
High resolution limit [Å]	1.660	1.660
Rmerge	0.040	0.391
Rmeas	0.048	0.467
Number of reflections	122345
<I/σ(I)>	17.2	3
Completeness [%]	99.4	99.8
Redundancy	3.4	3.3
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	22% PEG3350, 0.2M ammonium acetate, 0.1M bis-TRIS