3PJ9

Crystal structure of a Nucleoside Diphosphate Kinase from Campylobacter jejuni

Experimental procedure

Experimental method	MOLECULAR REPLACEMENT
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	85.672, 88.142, 110.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.400 - 2.100
R-factor	0.17072
Rwork	0.170
R-free	0.19199
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nck
RMSD bond length	0.017
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MrBUMP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.570
Number of reflections	49704
<I/σ(I)>	22.2	3.6
Completeness [%]	100.0	100
Redundancy	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2M NH4 Sulfate, 5% Isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K