9N9L

An RORgt Inverse agonist for treatment of Psoriasis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-05-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	41.503, 128.898, 51.832
Unit cell angles	90.00, 91.38, 90.00

Refinement procedure

Resolution	40.383 - 1.637
R-factor	0.1919
Rwork	0.191
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.483
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev-2026_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.383	1.696
High resolution limit [Å]	1.637	1.637
Rmerge	0.052	0.509
Number of reflections	66034	6394
<I/σ(I)>	22.2
Completeness [%]	98.8	96.13
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18% PEG 4000, 0.1 M Hepes pH 7.5 and 0.1 M Ammonium Acetate