4NXH

2'-Trifluoromethylthiouridine-modified E. coli 23S rRNA Sarcin Ricin Loop

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	2013-11-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 43
Unit cell lengths	29.560, 29.560, 76.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 1.158
R-factor	0.117
Rwork	0.115
R-free	0.14810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dvz
RMSD bond length	0.010
RMSD bond angle	1.740
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.560
High resolution limit [Å]	1.158	1.158
Number of reflections	22732
<I/σ(I)>	17.8
Completeness [%]	99.3
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.2 M ammonium sulfate, 50 mM potassium MOPS, pH 7.0, 10 mM magnesium chloride, 10 mM manganese chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K