4OET

Crystal structure of NikZ from Campylobacter jejuni, unliganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Detector technology	CCD
Collection date	2013-02-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00446
Spacegroup name	P 21 21 21
Unit cell lengths	81.060, 85.210, 148.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.058 - 2.400
R-factor	0.1814
Rwork	0.179
R-free	0.22010
Structure solution method	MR-SAD
Starting model (for MR)	1dpe
RMSD bond length	0.005
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	2.500
High resolution limit [Å]	2.400	2.400
Number of reflections	40880
<I/σ(I)>	14.29	4.15
Completeness [%]	99.8	99.2
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	15 % PEG 5000, 100 mM HEPES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K