4OEU

Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(L-His)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Detector technology	PIXEL
Collection date	2013-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97901
Spacegroup name	C 1 2 1
Unit cell lengths	154.480, 72.770, 86.090
Unit cell angles	90.00, 111.99, 90.00

Refinement procedure

Resolution	46.626 - 2.200
R-factor	0.1947
Rwork	0.192
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oet
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.630	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	44298
<I/σ(I)>	23.62	3.09
Completeness [%]	98.0	95.8
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20 % PEG 3350, 100 mM HEPES pH 7.0, 0.2 M MgCl2. Crystal soaking in a solution containing 1 mM NiCl2 and 2 mM L-His., VAPOR DIFFUSION, HANGING DROP, temperature 293K