6NTI

Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2017-01-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 1 2 1
Unit cell lengths	51.359, 86.058, 77.597
Unit cell angles	90.00, 93.98, 90.00

Refinement procedure

Resolution	? - ?
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bbz
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.061	0.347
Number of reflections	13955
<I/σ(I)>	14.7	3.34
Completeness [%]	93.4	90
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	polyethylene glycol 8000, 0.2 M MgCl2, 0.1 M Tris, pH 8.5
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	polyethylene glycol 8000, 0.2 M MgCl2, 0.1 M Tris, pH 8.5