6TUG

Enterococcus italicus Csm6 bound to cyclic hexa-2'-fluoro-hexa-dAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	93.604, 106.686, 116.793
Unit cell angles	90.03, 90.01, 90.10

Refinement procedure

Resolution	48.510 - 2.420
R-factor	0.2648
Rwork	0.264
R-free	0.29170
Structure solution method	SIRAS
RMSD bond length	0.004
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.510	2.510
High resolution limit [Å]	2.420	2.420
Rmerge	0.076	0.473
Rmeas	0.090	0.554
Rpim	0.047	0.285
Number of reflections	156394	16789
<I/σ(I)>	13.12
Completeness [%]	90.8	97.78
Redundancy	3.5	3.7
CC(1/2)	0.998	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM HEPES pH 7.5 1.6 M Ammonium sulphate 25 mM Lithium perchlorate