3GF8

Crystal structure of putative polysaccharide binding proteins (DUF1812) (NP_809975.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.20 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	2009-01-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97927,0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	106.894, 106.894, 79.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.643 - 2.200
R-factor	0.191
Rwork	0.189
R-free	0.22900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.525
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.643	29.650	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.097	0.042	0.650
Total number of observations		990	7014
Number of reflections	23862
<I/σ(I)>	6.793	14.3	1.2
Completeness [%]	99.9	94.3	100
Redundancy	4	3.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1.4M sodium citrate, 0.1 M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K