4WB2

Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91
Spacegroup name	P 21 21 2
Unit cell lengths	46.470, 282.254, 45.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.877 - 1.800
R-factor	0.1683
Rwork	0.167
R-free	0.19260
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	57409
<I/σ(I)>	21.62	2.98
Completeness [%]	99.9	100
Redundancy	9.8	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.2 M NaCl, 0.1 M Na cacodylate pH 6.0, 8% (w/v) PEG 8000
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.2 M NaCl, 0.1 M Na cacodylate pH 6.0, 8% (w/v) PEG 8000