6V6L

Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	2006-11-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.080, 64.760, 58.250
Unit cell angles	90.00, 100.13, 90.00

Refinement procedure

Resolution	24.170 - 2.190
R-factor	0.204
Rwork	0.203
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b8j
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	xia2
Data scaling software	xia2
Phasing software	CNS
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.010	2.250
High resolution limit [Å]	2.190	2.190
Rmerge	0.109	0.614
Number of reflections	20146	1514
<I/σ(I)>	7.3
Completeness [%]	96.9
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	7-12% (w:v) PEG 6000 and 5-8% MPD (v:v)