8FV0

SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine

Replaces:  7KY3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	68.098, 119.951, 145.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.860 - 2.650
R-factor	0.2226
Rwork	0.221
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.860	2.650
High resolution limit [Å]	2.650	2.640
Rmerge	0.140
Number of reflections	17700	871
<I/σ(I)>	2.4
Completeness [%]	99.9
Redundancy	7.5
CC(1/2)	0.775	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M NaCl, 0.1 M HEPES pH 8.0, and 1.6 M ammonium sulphate