2DYA

Crystal structure of complex between Adenine nucleotide and nucleoside diphosphate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-01-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	69.707, 69.707, 107.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.060 - 1.770
Rwork	0.114
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cwk
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.410	1.830
High resolution limit [Å]	1.770	1.770
Number of reflections	28619
<I/σ(I)>	61.2
Completeness [%]	99.2	92.4
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Na Citrate, Bicine, 5mM ATP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K