8FV1

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

Replaces:  7KY4

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)	0.9762
Spacegroup name	P 21 3
Unit cell lengths	161.683, 161.683, 161.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.950 - 2.950
R-factor	0.2299
Rwork	0.229
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ix3
RMSD bond length	0.002
RMSD bond angle	0.405
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]	24.950	3.130
High resolution limit [Å]	2.950	2.950
Number of reflections	29846	2792
<I/σ(I)>	18.9
Completeness [%]	99.8
Redundancy	20
CC(1/2)	0.999	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.1M NaCl, 0.1M HEPES pH8.0, 1.6M Ammonium Sulfate