6CY6

Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 6 2 2
Unit cell lengths	107.499, 107.499, 65.021
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.100 - 1.750
R-factor	0.15587
Rwork	0.154
R-free	0.20067
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r9m
RMSD bond length	0.021
RMSD bond angle	2.098
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.048	0.650
Number of reflections	22903	1109
<I/σ(I)>	51.1	4.3
Completeness [%]	100.0	100
Redundancy	12.8	13
CC(1/2)	0.048

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Ammonium phosphate monobasic, 0.1 M Tris, 50% v/v MPD