6F8S

Toxin-Antitoxin complex GraTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	90
Detector technology	PIXEL
Collection date	2014-10-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 41
Unit cell lengths	56.030, 56.030, 128.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.180 - 2.500
R-factor	0.1799
Rwork	0.178
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.178
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.180	2.587
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.866
Rmeas	0.095
Number of reflections	13706	1354
<I/σ(I)>	16.82
Completeness [%]	99.9	98.9
Redundancy	9.8	9.6
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.8 M Li 2 SO 4 , 0.1 M sodium acetate trihydrate pH 4.0, 4%(v/v) PEG 200