5EMF

Crystal structure of RNA r(GCUGCUGC) with antisense PNA p(GCAGCAGC)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.968681
Spacegroup name	P 31 2 1
Unit cell lengths	35.110, 35.110, 69.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.410 - 1.140
R-factor	0.12361
Rwork	0.122
R-free	0.15296
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.587
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.410	1.210
High resolution limit [Å]	1.140	1.140
Rmerge		0.890
Number of reflections	18549
<I/σ(I)>	23.13	2
Completeness [%]	98.4	90.3
Redundancy	9.8	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	200mM KCl, TRIS, PEG4000