4NMG

2'-Trifluoromethylthio-2'-deoxyuridine-modified SRL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.8
Spacegroup name	P 43
Unit cell lengths	29.572, 29.572, 76.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.572 - 1.010
R-factor	0.121
Rwork	0.120
R-free	0.14100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3dvz
RMSD bond length	0.014
RMSD bond angle	1.895
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.010
Rmerge	0.047
Number of reflections	67951
<I/σ(I)>	18.73
Completeness [%]	99.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1:1 RNA (in 1.0 mM sodium EDTA, pH 8.0, 10 mM Tris, pH 8.0) to well solution (3.1 M ammonium sulfate, 50 mM potassium MOPS, 10 mM magnesium chloride, 10 mM manganese chloride), VAPOR DIFFUSION, SITTING DROP, temperature 293K