4WPF

Crystal structure of RORc in complex with a phenyl sulfonamide agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 41
Unit cell lengths	61.692, 61.692, 155.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.202
R-factor	0.1802
Rwork	0.175
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.834
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.110	0.026	0.754
Total number of observations	79558
Number of reflections	28529
<I/σ(I)>	6
Completeness [%]	97.4	95	85.5
Redundancy	2.8	3.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	0.2M sodium formate, 0.1M Bis Tris propane (pH 6.5), and 20% PEG 3350