1HIY

Binding of nucleotides to NDP kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	277
Detector technology	IMAGE PLATE
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	71.620, 71.620, 153.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.600
R-factor	0.22
Rwork	0.220
R-free	0.32500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kdn
RMSD bond length	0.014
RMSD bond angle	1.680 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.200
Rmerge	0.049
Number of reflections	23760
Completeness [%]	99.7
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *		METHOD: HANGING DROP IN DROP: 5MG/ML PROTEIN, 50 MM TRIS HCL PH8.5, 8.5MM 3'-AMINO-ADP,15-16% PEG550, 20MM MGCL2 IN WELL: 30-32% PEG550, 50MM TRISHCL PH8.5., pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ADP	17 (mM)
2	1	drop	protein	5 (mg/ml)
3	1	drop		20 (mM)
4	1	drop	Tris-HCl	50 (mM)
5	1	drop	PEG550	15-16 (%)