5UC6

Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9999
Spacegroup name	P 31 2 1
Unit cell lengths	74.790, 74.790, 86.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.770 - 2.100
R-factor	0.1794
Rwork	0.178
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ila
RMSD bond length	0.007
RMSD bond angle	1.344
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.770	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.092	0.560
Number of reflections	16642
<I/σ(I)>	11.2	3.4
Completeness [%]	99.5	100
Redundancy	9.7	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.2 M NaCl, 0.1 M Na acetate, and 22% polyethylene glycol 8,000