4EK2

The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 41 2 2
Unit cell lengths	90.680, 90.680, 90.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.553 - 2.000
R-factor	0.1916
Rwork	0.190
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dut
RMSD bond length	0.013
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.553	40.553	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.066	0.018	0.219
Number of reflections	25415	359	1593
<I/σ(I)>	30.21	91.09	7.95
Completeness [%]	97.2	96.5	84.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	ButhA.00438.a.A1 PS01186 at 42.64 mg/mL in 1.5 M ammonium sulfate, 0.1 M Bis-Tris propane, pH 7.0, 10 mM dAMP, cryoprotectant: 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K