5CAA

Structure of Leishmania nucleoside diphosphate kinase mutant P100S/del5-Cterm

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
Collection date	2013-05-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 21 3
Unit cell lengths	112.919, 112.919, 112.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.230 - 2.300
R-factor	0.266
Rwork	0.264
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngs
RMSD bond length	0.004
RMSD bond angle	0.837
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.162	0.775
Number of reflections	21608
<I/σ(I)>	5.5
Completeness [%]	100.0	100
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281	bis-tris propane, sodium acetate