1Q5V

Apo-NikR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	46.360, 69.530, 158.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.300
R-factor	0.248
Rwork	0.248
R-free	0.30500
Structure solution method	Se-SAD
RMSD bond length	0.009 *
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.052 *	0.359 *
Total number of observations	250494 *
Number of reflections	23458
<I/σ(I)>	27	5.8
Completeness [%]	99.2	97.4
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	PEG 6000, magnesium chloride, N-(2-(acetamido)imino)diacetic acid (ADA), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	PEG 6000, magnesium chloride, N-(2-(acetamido)imino)diacetic acid (ADA), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop		300 (mM)
4	1	reservoir	ADA	100 (mM)	pH6.5
5	1	reservoir	PEG6000	6 (%(w/v))
6	1	reservoir		50 (mM)