1WKK

Crystal Structure of Nucleoside Diphosphate Kinase from Thermus thermophilus HB8 in Complex with GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-02
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	123.830, 123.830, 104.302
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.700
Rwork	0.201
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wkj
RMSD bond length	0.006
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.099	0.251
Number of reflections	161023
<I/σ(I)>	40.2	16.2
Completeness [%]	99.7	100
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	13% PEG4000, 0.09M Ammonium Acetate, 15% Glycerol, 0.1M Sodium Citrate, 0.001M GTP, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K