1Q5Y

Nickel-Bound C-terminal Regulatory Domain of NikR

Experimental procedure

Experimental method	MAD
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	2002-08-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.4852, 0.9500
Spacegroup name	P 21 21 21
Unit cell lengths	45.849, 78.287, 81.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.1602
Rwork	0.160
R-free	0.22000 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.062 *	0.310 *
Total number of observations	360689 *
Number of reflections	57926
<I/σ(I)>	17.5	3.7
Completeness [%]	99.2	94.2
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 3350, di-sodium tartrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 3350, di-sodium tartrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop		300 (mM)
4	1	reservoir	disodium tartrate	0.2 (M)
5	1	reservoir	PEG3350	20 (%(w/v))