1NHK

CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION

Experimental procedure

Spacegroup name	P 43 21 2
Unit cell lengths	63.600, 63.600, 158.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.174
Rwork	0.174
R-free	0.20600
RMSD bond length	0.009
RMSD bond angle	22.400 *
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000 *
High resolution limit [Å]	1.900 *	1.900 *
Rmerge	0.052 *	0.206 *
Total number of observations	113713 *
Number of reflections	26296
Completeness [%]	99.1
Redundancy	4.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.7 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	nucleoside diphosphate kinase	24 (mg/ml)
10	1	reservoir	sodium acetate	250 (mM)
2	1	drop	cAMP	8 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	Tris-HCl	10 (mM)
5	1	drop	PEG3000	13 (%)
6	1	drop	acetic acid	50 (mM)
7	1	drop	sodium acetate	250 (mM)
8	1	reservoir	PEG3000	18 (%)
9	1	reservoir	acetic acid	50 (mM)