5C7Q

Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase

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	2010-05-22
Detector	MAR CCD 165 mm
Wavelength(s)	.948
Spacegroup name	P 21 21 2
Unit cell lengths	75.425, 103.098, 51.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.520
R-factor	0.1877
Rwork	0.186
R-free	0.21530
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	1.641
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.111	0.069	0.636
Total number of observations	362440
Number of reflections	58801
<I/σ(I)>	6.6
Completeness [%]	94.5	98.5	80.9
Redundancy	6.2	6	3.9

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