3G6S

Crystal structure of the endonuclease/exonuclease/phosphatase (BVU_0621) from Bacteroides vulgatus. Northeast Structural Genomics Consortium Target BvR56D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.97877
Spacegroup name	P 41
Unit cell lengths	75.601, 75.601, 66.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.430 - 2.500
R-factor	0.18
Rwork	0.180
R-free	0.23400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.414
Number of reflections	25328
<I/σ(I)>	18.01	2.75
Completeness [%]	99.6	97.5
Redundancy	6.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	7	291	Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM Sodium chloride, 5 mM DTT. Reservoir solution: 100 mM Bis-Tris propane pH 7.0, 30% PEG 8000, 60 mM Lithium sulfate, MICROBATCH UNDER OIL, temperature 291K