3K6Q

CRYSTAL STRUCTURE OF An antitoxin part of a putative toxin/antitoxin system (SWOL_0700) FROM SYNTROPHOMONAS WOLFEI SUBSP. WOLFEI AT 1.80 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97905,0.97860
Spacegroup name	P 1
Unit cell lengths	41.974, 56.943, 62.561
Unit cell angles	107.00, 103.03, 100.21

Refinement procedure

Resolution	29.828 - 1.800
R-factor	0.195
Rwork	0.193
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.545
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.828	29.830	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.048	0.045	0.344
Total number of observations		991	6884
Number of reflections	46885
<I/σ(I)>	10.8	11.5	2.2
Completeness [%]	97.0	94	95.9
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	277	0.2000M MgCl2, 20.0000% PEG-3350, No Buffer pH 5.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K