7MQL

AAC(3)-IIIa in complex with CoA and neomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-30
Detector	Bruker PHOTON II
Wavelength(s)	1.3418
Spacegroup name	P 21 21 2
Unit cell lengths	130.584, 90.882, 100.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.050 - 1.600
R-factor	0.1759
Rwork	0.176
R-free	0.19880
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.052
Data reduction software	PROTEUM PLUS (2018.7-2)
Data scaling software	PROTEUM PLUS (2018.7-2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.050	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	157232	15589
<I/σ(I)>	20.85
Completeness [%]	99.8
Redundancy	13.7
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2M potassium formate, 21% (w/v) PEG 3350, 2% (v/v) 1,3-propanediol