5K74

Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 61
Unit cell lengths	98.350, 98.350, 129.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.175 - 2.750
R-factor	0.1728
Rwork	0.171
R-free	0.21610
RMSD bond length	0.006
RMSD bond angle	1.196
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.065	0.034	0.725
Number of reflections	18126
<I/σ(I)>	10.6
Completeness [%]	97.6	93.9	98.8
Redundancy	4.5	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.4M Potassium sodium tartrate tetrahydrate