7KX3

SpeG Spermidine N-acetyltransferase F149G mutant from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	72.041, 136.394, 139.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 2.670
R-factor	0.2235
Rwork	0.222
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jjx
RMSD bond length	0.002
RMSD bond angle	0.392
Data reduction software	HKL-2000 (1.18.2_3874)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	2.765
High resolution limit [Å]	2.670	2.670
Number of reflections	19885	2605
<I/σ(I)>	9.4	2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.997	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1M Sodium malonate, 30% PEG 3350