4PY9

Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192

Replaces:  3DMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-04
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	90.892, 90.892, 107.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.450 - 2.250
R-factor	0.23457
Rwork	0.231
R-free	0.26354
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.218
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.074	0.432
Number of reflections	40928
<I/σ(I)>	17.3	17
Completeness [%]	100.0	100
Redundancy	11.5	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	320 MM KACETATE, 100 MM NAACETATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K