6MB7

Binary (paromomycin) structure of AAC-IIIb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	106.190, 106.190, 69.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.264 - 2.200
R-factor	0.2022
Rwork	0.200
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc3
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.260	38.260	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.070	0.022	0.513
Rmeas	0.087	0.027	0.646
Rpim	0.051	0.016	0.388
Total number of observations	59188	906	5036
Number of reflections	22425	359	1966
<I/σ(I)>	9.8	34.8	2
Completeness [%]	97.3	97.6	98.1
Redundancy	2.6	2.5	2.6
CC(1/2)	0.996	0.998	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1-3% PEG 4000, 20-25% isopropanol and 0.1M HEPES, pH 7.5