5U0T

Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	298
Detector technology	PIXEL
Collection date	2015-09-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	P 21 21 21
Unit cell lengths	50.815, 69.886, 84.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.575 - 2.109
R-factor	0.1571
Rwork	0.154
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u4t
RMSD bond length	0.008
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.580
High resolution limit [Å]	2.109
Rmerge	0.107
Number of reflections	17891
<I/σ(I)>	19.21
Completeness [%]	99.6
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	magnesium chloride, tris pH 8,0, peg 3350 and peg 400