1M2R

Crystal structure of 5,8-di-amino-1,4-di-hydroxy-anthraquinone/CK2 kinase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	143.110, 51.830, 44.710
Unit cell angles	90.00, 99.65, 90.00

Refinement procedure

Resolution	29.140 - 1.700
R-factor	0.19
Rwork	0.190
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.260 *
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]	48.650	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.090 *	0.090 *
Number of reflections	32021 *	2851 *
<I/σ(I)>	4	4.1
Completeness [%]	89.7 *	55.2 *
Redundancy	3.2	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 (%)