2HZA

Nickel-bound full-length Escherichia coli NikR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	49.843, 49.843, 181.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.170 - 2.100
R-factor	0.239
Rwork	0.239
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q5y 1q5v
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.200	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	15688
<I/σ(I)>	20.8
Completeness [%]	97.4	90
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES - Na pH 7.5, 30% v/v Polyethylene Glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 295K