1M2P

Crystal structure of 1,8-di-hydroxy-4-nitro-anthraquinone/CK2 kinase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-24
Detector	MARRESEARCH
Wavelength(s)	1.2
Spacegroup name	C 1 2 1
Unit cell lengths	142.090, 60.550, 44.980
Unit cell angles	90.00, 102.84, 90.00

Refinement procedure

Resolution	24.450 - 2.000
R-factor	0.223
Rwork	0.223
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	0.260 *
Number of reflections	22959 *	2788 *
<I/σ(I)>	3.4
Completeness [%]	90.7 *	88.5 *
Redundancy	2.4	2.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 4000, Sodium Acetate, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	PEG4000	10-20 (%)
3	1	drop	sodium acetate	0.2 (M)
4	1	drop	Tris	0.1 (M)	pH8.0
5	1	reservoir	PEG4000	20 (%)