1PAE

nucleoside diphosphate kinase

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2003-03-15
Detector	MARRESEARCH
Wavelength(s)	0.9754
Spacegroup name	P 63 2 2
Unit cell lengths	76.633, 76.633, 106.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 2.700
R-factor	0.18787
Rwork	0.182
R-free	0.23200 *
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.544
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.074	0.276 *
Total number of observations	114811 *
Number of reflections	5418
<I/σ(I)>	18.7
Completeness [%]	98.4	97.4
Redundancy	23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	PEG 6000, magnesium chloride,Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	p7.5
3	1	reservoir	PEG6000	10 (%(w/v))
4	1	reservoir	Tris-HCl	50 (mM)	pH7.5
5	1	reservoir		10 (mM)