3K6O

Crystal structure of protein of unknown function DUF1344 (YP_001299214.1) from Bacteroides vulgatus ATCC 8482 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922,0.97936
Spacegroup name	C 1 2 1
Unit cell lengths	157.670, 51.245, 112.783
Unit cell angles	90.00, 135.03, 90.00

Refinement procedure

Resolution	28.194 - 2.000
R-factor	0.177
Rwork	0.175
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.543
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.194	28.190	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.061	0.043	0.474
Total number of observations		1093	7572
Number of reflections	42806
<I/σ(I)>	10.7	15.1	1.6
Completeness [%]	99.1	92.5	99.6
Redundancy	2.4	2.3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.93	293	0.8600M ammonium sulfate, 0.1M citric acid pH 3.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K