3KOG

Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 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	2009-06-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.85503,0.97926,0.97845
Spacegroup name	I 21 21 21
Unit cell lengths	66.796, 70.337, 104.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.814 - 1.850
R-factor	0.184
Rwork	0.182
R-free	0.21400
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.621
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.814	29.820	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.091	0.039	0.726
Total number of observations		963	6377
Number of reflections	21313
<I/σ(I)>	10.2	15.3	1
Completeness [%]	100.0	98	100
Redundancy	4.1	3.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.43	293	31.6000% 2-methyl-2,4-pentanediol, 0.2000M sodium chloride, 0.1M sodium acetate pH 4.43, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K