1NB2

Crystal Structure of Nucleoside Diphosphate Kinase from Bacillus Halodenitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.116
Spacegroup name	P 43 3 2
Unit cell lengths	114.070, 114.070, 114.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.200
R-factor	0.229
Rwork	0.213
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.734
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.062 *
Number of reflections	21145
<I/σ(I)>	16.1	3.4
Completeness [%]	95.6 *	64
Redundancy	7.03 *	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	18 *	Sodium Formate, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.0 (mg/ml)
2	1	reservoir	sodium formate	4.2 (M)
3	1	reservoir	MES	0.1 (M)	pH6.5