7MQK

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-10
Detector	Bruker PHOTON II
Wavelength(s)	1.3418
Spacegroup name	P 21 21 2
Unit cell lengths	130.175, 90.927, 100.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.544 - 1.600
R-factor	0.1797
Rwork	0.179
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ht0
RMSD bond length	0.010
RMSD bond angle	1.095
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 ((1.15.1_3469: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.544	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	156548	15495
<I/σ(I)>	20.85
Completeness [%]	99.8	99.99
Redundancy	23.4
CC(1/2)	0.999	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2M potassium formate, 20% (w/v) PEG 3350, 6%(v/v) 1,3-propanediol