7Q10

Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-11-11
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	89.004, 103.122, 64.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.720 - 1.820
R-factor	0.1966
Rwork	0.195
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q0q
RMSD bond length	0.008
RMSD bond angle	1.012
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]	54.720	1.885
High resolution limit [Å]	1.820	1.820
Number of reflections	53217	4801
<I/σ(I)>	5.72
Completeness [%]	98.2
Redundancy	7.5
CC(1/2)	0.990	0.287

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