2IM5

Crystal structure of Nicotinate phosphoribosyltransferase from Porphyromonas Gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	110
Detector technology	CCD
Collection date	2006-09-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	88.873, 101.131, 191.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.750 - 2.200
R-factor	0.22
Rwork	0.220
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.200
Rmerge	0.078
Number of reflections	83311
<I/σ(I)>	14.3
Completeness [%]	95.1
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	18% PEG 3350, 0.2M tri-Ammonium citrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K