3FUX

T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in complex with 5'-methylthioadenosine in space group P212121

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
Detector	MAR CCD 130 mm
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	56.056, 79.908, 186.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.680
R-factor	0.202
Rwork	0.200
R-free	0.23900
RMSD bond length	0.014
RMSD bond angle	1.494
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.080	0.380
Number of reflections	91701
<I/σ(I)>	19.2	2.03
Completeness [%]	94.8	95.4
Redundancy	4.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch technique under oil	8.5	277	20% v/v polyethylene glycol 300, 100 mM TRIS-HCl (pH 8.5), 5% w/v polyethylene glycol 8000, 10% v/v anhydrous glycerol, microbatch technique under oil, temperature 277K