3G2P

Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with (S)-adenosyl-L-homocysteine (SAH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-03-09
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	126.469, 72.451, 75.246
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	50.000 - 2.950
R-factor	0.211
Rwork	0.209
R-free	0.25900
Starting model (for MR)	3g2m
RMSD bond length	0.012
RMSD bond angle	1.490
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.070
High resolution limit [Å]	2.950	6.370	2.950
Rmerge	0.112	0.056	0.500
Number of reflections	13628
<I/σ(I)>	12.124
Completeness [%]	97.5	98.5	96.3
Redundancy	3.7	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1M MES pH 6.5, 18% PEG-monomethyl ether 5K, vapor diffusion, hanging drop, temperature 294K