3M6W

Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P21212 in complex with S-Adenosyl-L-Methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	89.661, 109.047, 50.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.597 - 1.300
R-factor	0.178
Rwork	0.177
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m6u
RMSD bond length	0.005
RMSD bond angle	1.135
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	1.340
High resolution limit [Å]	1.290	2.780	1.290
Rmerge	0.058	0.038	0.356
Number of reflections	121660
<I/σ(I)>	12.6
Completeness [%]	95.6	97.3	66.3
Redundancy	5.2	5.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	277	10% w/v PEG1000, 200 mM NaCl and 100 mM TRIS-HCl (pH8.5), microbatch under oil, temperature 277K