4FO5

Crystal structure of a thioredoxin-like protein (BDI_1100) from Parabacteroides distasonis ATCC 8503 at 2.02 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	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97922
Spacegroup name	P 1 21 1
Unit cell lengths	33.164, 49.343, 40.523
Unit cell angles	90.00, 112.18, 90.00

Refinement procedure

Resolution	29.869 - 2.020
R-factor	0.1772
Rwork	0.176
R-free	0.20840
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.869		2.090
High resolution limit [Å]	2.020	4.340	2.020
Rmerge	0.065	0.030	0.439
Number of reflections	8038	1583	1516
<I/σ(I)>	15.58	44.9	2.4
Completeness [%]	98.9	99.1	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M sodium acetate, 30.0% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K