3MDQ

Crystal structure of an Exopolyphosphatase (CHU_0316) from Cytophaga hutchinsonii ATCC 33406 at 1.50 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	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97934,0.97925
Spacegroup name	P 21 21 21
Unit cell lengths	44.687, 89.335, 89.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.786 - 1.500
R-factor	0.154
Rwork	0.153
R-free	0.17800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.786	29.786	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.057	0.035	0.435
Number of reflections	56714	9976	9366
<I/σ(I)>	8.14	20.6	1.7
Completeness [%]	94.1	89.5	90.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.4500M ammonium sulfate, 13.6000% Glycerol, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K