7UY4

Aminoglycoside-modifying enzyme ANT-3,9 in complex with spectinomycin and AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	50.043, 106.958, 114.148
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 1.980
R-factor	0.1806
Rwork	0.178
R-free	0.22147
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xxq
RMSD bond length	0.012
RMSD bond angle	1.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.133	1.067
Number of reflections	40924	2573
<I/σ(I)>	17.1
Completeness [%]	98.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES, pH 6.2 0.2M MgCl2 20% PEG6000