3TZG

Crystal structure of a porin-like protein (BVU_2266) from Bacteroides vulgatus ATCC 8482 at 2.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97959,0.96109,0.97938
Spacegroup name	P 43 21 2
Unit cell lengths	84.663, 84.663, 175.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.933 - 2.800
R-factor	0.1987
Rwork	0.197
R-free	0.24100
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.933	29.933	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge		0.048	0.742
Total number of observations		1239	8423
Number of reflections	16458
<I/σ(I)>	11.5	11.1	1
Completeness [%]	99.9	92.9	100
Redundancy	7	5.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.1M phosphate-citrate pH 4.2, 40% 2-methyl-2,4-pentanediol, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K