5U1E

Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the kanamycin B

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	2015-11-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	P 21 21 21
Unit cell lengths	66.718, 68.168, 69.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.768 - 2.213
R-factor	0.1948
Rwork	0.189
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u4t
RMSD bond length	0.008
RMSD bond angle	1.186
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]	48.770
High resolution limit [Å]	2.213
Rmerge	0.180
Number of reflections	30510
<I/σ(I)>	10.16
Completeness [%]	99.7
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Magnesium chloride, tris pH 8, peg 3350, peg 400