3MPD

Crystal structure of nucleoside diphosphate kinase from encephalitozoon cuniculi, cubic form, apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9765
Spacegroup name	P 21 3
Unit cell lengths	111.330, 111.330, 111.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.570 - 2.080
R-factor	0.177
Rwork	0.175
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NSQ (Drosophila NDP kinase)
RMSD bond length	0.015
RMSD bond angle	1.333
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.570	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.077	0.454
Number of reflections	27311
<I/σ(I)>	20.88	5.7
Completeness [%]	97.3	95.5
Redundancy	11.4	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	PACT SCREEN CONDITION F8: 100MM BIS-TRIS PROPANE PH 6.5, 20% PEG 3350, 200 MM NA2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K