5C7T

Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	93
Detector technology	CCD
Collection date	2010-06-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541
Spacegroup name	P 21 21 2
Unit cell lengths	75.594, 103.402, 51.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.800 - 2.060
R-factor	0.1845
Rwork	0.181
R-free	0.24500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5c7q
RMSD bond length	0.015
RMSD bond angle	1.886
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.130
High resolution limit [Å]	2.060	4.440	2.060
Rmerge	0.095	0.058	0.525
Total number of observations	130858
Number of reflections	24431
<I/σ(I)>	11.9
Completeness [%]	95.0	99.5	68.9
Redundancy	5.4	6.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.75-2.0 M ammonium sulfate, 0.1 M HEPES pH 7.0, and 0-0.5% PEG 8000