1UIV

Crystal structures of the liganded and unliganded nickel binding protein NikA from Escherichia coli (Nickel liganded form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-20
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	69.720, 192.806, 75.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.2023
Rwork	0.199
R-free	0.25500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.100 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.041	0.114
Total number of observations	278267 *
Number of reflections	66817
<I/σ(I)>	16.7
Completeness [%]	94.6	72.1
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	PEG2000, ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	NikA	15 (mg/ml)
2	1	drop	Tris-Cl	50 (mM)	pH8.5
3	1	reservoir	PEG2000	20 (%)
4	1	reservoir	ammonium sulfate	0.3 (M)
5	1	reservoir	sodium acetate	100 (mM)	pH5.5