3NO3

Crystal structure of a glycerophosphodiester phosphodiesterase (BDI_0402) from Parabacteroides distasonis ATCC 8503 at 1.89 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	2010-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97941,0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	137.460, 40.876, 48.328
Unit cell angles	90.00, 99.39, 90.00

Refinement procedure

Resolution	26.955 - 1.890
R-factor	0.1514
Rwork	0.150
R-free	0.17670
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.955	26.955	1.960
High resolution limit [Å]	1.890	4.060	1.890
Rmerge	0.055	0.033	0.307
Number of reflections	21375	3960	4114
<I/σ(I)>	8.97	20	2.3
Completeness [%]	97.5	94.2	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M magnesium chloride, 30.0000% polyethylene glycol 4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K