1WKJ

Crystal Structure of Nucleoside Diphosphate Kinase from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-11
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.98
Spacegroup name	P 63 2 2
Unit cell lengths	123.676, 123.676, 104.527
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.000
Rwork	0.208
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hhq
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	0.274
Number of reflections	387285
<I/σ(I)>	39	12.7
Completeness [%]	99.4	100
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	10% PEG4000, 0.09M Ammonium Acetate, 15% Glycerol, 0.1M Sodium Citrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K