6SXJ

Crystal structure of spectinomycin adenyltransferase AAD(9) from Enterococcus faecialis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.915
Spacegroup name	I 4
Unit cell lengths	103.971, 103.971, 61.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.980 - 2.100
R-factor	0.2321
Rwork	0.230
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4a
RMSD bond length	0.005
RMSD bond angle	0.730
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.056	1.600
Rmeas	0.058
Rpim		0.400
Number of reflections	18995	1843
<I/σ(I)>	1.5	1.5
Completeness [%]	99.0	97
Redundancy	13.7	13.8
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	281	10% w/v PEG 4000, 20% v/v glycerol, 0.02 M of each aminoacid, 0.1 M bicine/Trizma base pH 8.5