4QDG

Crystal structure of a putative adhesin (BT2657) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution (PSI Community Target, Nakayama)

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	2014-01-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97937,0.95369
Spacegroup name	P 1 21 1
Unit cell lengths	42.803, 102.324, 74.466
Unit cell angles	90.00, 98.35, 90.00

Refinement procedure

Resolution	42.349 - 2.200
R-factor	0.1697
Rwork	0.167
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.349	42.349	2.320
High resolution limit [Å]	2.200	4.980	2.200
Rmerge	0.094	0.045	0.735
Number of reflections	32074	2833	4572
<I/σ(I)>	10.01	24.9	1.6
Completeness [%]	99.4	99.4	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.200M magnesium formate, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K