3M6X

Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P21212

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)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	89.786, 109.093, 50.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.569 - 1.676
R-factor	0.174
Rwork	0.173
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m6u
RMSD bond length	0.004
RMSD bond angle	0.936
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	1.740
High resolution limit [Å]	1.680	3.620	1.680
Rmerge	0.150	0.099	0.487
Number of reflections	110000
<I/σ(I)>	5.1
Completeness [%]	99.6	99.9	97.8
Redundancy	6.4	7.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	8.5	277	160 mM Magnesium chloride hexahydrate, 80 mM TRIS-HCl (pH 8.5) and 24 % w/v PEG4000, microbatch under oil, temperature 277K