6S0W

The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	50.444, 186.061, 110.168
Unit cell angles	90.00, 95.20, 90.00

Refinement procedure

Resolution	44.220 - 2.360
R-factor	0.18735
Rwork	0.185
R-free	0.22465
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6s0t
RMSD bond length	0.008
RMSD bond angle	1.387
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.220	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.078	0.821
Number of reflections	75259	3923
<I/σ(I)>	11.3
Completeness [%]	95.1
Redundancy	6.5
CC(1/2)	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	1:1 of 28% PEG4000 (w/v), 0.5 M lithium sulfate, 0.1 M HEPES, 0.1 M sodium acetate and 15mg/ml protein in 0.05 M bis-tris methane, 0.15 M NaCl; soaked with 0.05 M kanamycin B