4KPC

Crystal structure of the nucleoside diphosphate kinase b from Leishmania braziliensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 3
Unit cell lengths	110.284, 110.284, 110.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 2.700
R-factor	0.175
Rwork	0.170
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.117
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.088	0.548
Number of reflections	12564
Completeness [%]	100.0	100
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5	291	0.78 M Sodium di-hydrogen phosphate, 1 M di-Potassium hydrogen phosphate, 0.1 M Sodium acetate , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K