4E33

X-ray Structure of the C-3'-Methyltransferase TcaB9 in Complex with S-Adenosyl-L-Homocysteine and Reduced dTDP-Sugar Substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-12
Detector	Bruker Platinum 135
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	100.707, 114.367, 37.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 1.600
R-factor	0.17735
Rwork	0.175
R-free	0.21294
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ndj
RMSD bond length	0.010
RMSD bond angle	2.267
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.076	0.330
Number of reflections	56697
<I/σ(I)>	11.9	2.54
Completeness [%]	96.7	90.6
Redundancy	4.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.2-1.6 M sodium/potassium phosphate, 10 mM dTMP, 5 mM S-adenosyl-L-homocysteine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K