3M6U

Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group 43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.9797
Spacegroup name	P 43
Unit cell lengths	70.979, 70.979, 186.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.962 - 1.402
R-factor	0.17
Rwork	0.169
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2frx
RMSD bond length	0.009
RMSD bond angle	1.224
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.065	0.049	0.586
Number of reflections	162166
<I/σ(I)>	17.2
Completeness [%]	90.1	99.3	72.6
Redundancy	8.9	11.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	6.6	277	20% (w/v) PEG3350, 200 mM sodium sulfate decahydrate (pH 6.6), microbatch under oil, temperature 277K