6U1R

SxtG an amidinotransferase from the Microseira wollei in Saxitoxin biosynthetic pathway

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	PIXEL
Collection date	2018-02-13
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9786
Spacegroup name	P 2 21 21
Unit cell lengths	49.378, 100.562, 163.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.071 - 1.792
R-factor	0.1686
Rwork	0.167
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jdw
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.082	0.674
Rmeas	0.091	0.733
Rpim	0.033	0.282
Number of reflections	77125	4162
<I/σ(I)>	17.1	2.7
Completeness [%]	99.3	90.7
Redundancy	7.2	6.4
CC(1/2)	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 3350, 0.2 M ammonium acetate and 0.1 M bis-Tris pH 6.5