4P0J

Crystal Structure of Loop-Swapped Interleukin-36Ra

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	41.414, 41.549, 50.841
Unit cell angles	97.89, 102.26, 118.46

Refinement procedure

Resolution	29.208 - 2.298
R-factor	0.2114
Rwork	0.210
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1md6
RMSD bond length	0.003
RMSD bond angle	0.868
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.210	29.210	2.370
High resolution limit [Å]	2.290	8.890	2.290
Rmerge	0.083	0.025	0.584
Rpim	0.083	0.025	0.584
Total number of observations	22761	406	1492
Number of reflections	11902
<I/σ(I)>	3.9	8.5	0.9
Completeness [%]	95.0	96.3	70
Redundancy	1.9	2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	298	1.2 M NaH2PO4, 0.6 M K2HPO4, 0.1 M CAPS, pH 10.5, 0.2 M LiSO4