5U1I

Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the methylated 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	2016-10-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	P 21 21 21
Unit cell lengths	51.045, 70.052, 86.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.896 - 1.932
R-factor	0.1787
Rwork	0.176
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u4t
RMSD bond length	0.007
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.896
High resolution limit [Å]	1.932
Rmerge	0.023
Number of reflections	23107
<I/σ(I)>	21.76
Completeness [%]	97.3
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Calcium chloride, Hepes pH 8, Peg 6000