7KWX

Spermidine N-acetyltransferase SpeG N152L 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	2018-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	73.020, 135.940, 139.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 2.420
R-factor	0.2265
Rwork	0.224
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jjx
RMSD bond length	0.002
RMSD bond angle	0.402
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.660	2.507
High resolution limit [Å]	2.420	2.420
Number of reflections	26869	2762
<I/σ(I)>	16.1	2.4
Completeness [%]	100.0
Redundancy	8.7
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	10% ethanol