4RMO

Crystal Structure of the CptIN Type III Toxin-Antitoxin System from Eubacterium rectale

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	63.110, 185.891, 138.780
Unit cell angles	90.00, 92.63, 90.00

Refinement procedure

Resolution	63.120 - 2.200
R-factor	0.2012
Rwork	0.199
R-free	0.23386
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.720
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.120	63.040	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.048	0.022	0.338
Number of reflections	157960
<I/σ(I)>	11.6	37.4	2.4
Completeness [%]	97.9	96.9	97
Redundancy	2.3	2.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.8	293	CaCl2, 2-Propanol, Sodium Acetate, pH 4.8, vapor diffusion, temperature 293K
2