3OD2

E. coli NikR soaked with excess nickel ions

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	2004-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.4845
Spacegroup name	P 31 2 1
Unit cell lengths	50.735, 50.735, 183.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
Rwork	0.236
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hza
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	8681
<I/σ(I)>	16.3
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	200 mM MgCl2, 100 mM Hepes, 30% vol/vol PEG 400, 0.5 ml of 345 mM cyclohexyl-propyl-b-D-maltoside (CYMAL-3), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K