7Q1X

Acetyltrasferase(3) type IIIa in complex with neomycin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-10-04
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	89.279, 103.047, 65.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 1.450
R-factor	0.1677
Rwork	0.166
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q0q
RMSD bond length	0.006
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	1.502
High resolution limit [Å]	1.450	1.450
Number of reflections	102345	8356
<I/σ(I)>	15.63
Completeness [%]	95.3
Redundancy	3.2
CC(1/2)	0.998	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	7-14% PEG 10,000, 0.1 M Na Acetate, 0.1 M Bis-Tris pH 5.5