1HHQ

Role of active site resiude Lys16 in Nucleoside Diphosphate Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	277
Detector technology	IMAGE PLATE
Spacegroup name	P 63 2 2
Unit cell lengths	72.150, 72.150, 107.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.201 *
Rwork	0.177
R-free	0.24800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npk
RMSD bond length	0.013 *
RMSD bond angle	1.910 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.050
Number of reflections	11016
<I/σ(I)>	10.1
Completeness [%]	98.2 *
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		METHOD: HANGING DROP IN DROP: 5MG/ML PROTEIN, 50 MM TRIS HCL PH7.5, 1 M AS, 20MM MGCL2 IN WELL: 2M AS, 50MM TRISHCL PH7.5, 20MM MGCL2, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	ammonium sulfate	1 (M)
4	1	drop		20 (mM)
5	1	reservoir	ammonium sulfate	2 (M)