1UV5

GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME

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	2002-09-07
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	98.333, 98.333, 198.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.460 - 2.800
R-factor	0.193
Rwork	0.193
R-free	0.22500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h8f
RMSD bond length	0.020
RMSD bond angle	23.600 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.289
Total number of observations	220805 *
Number of reflections	50596 *
<I/σ(I)>	18.4	3.7
Completeness [%]	99.7	97 *
Redundancy	6.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES-NaOH	25 (mM)	pH7.0
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	ammonium dihydrogen phosphate	2.0 (M)
5	1	reservoir	Tris-HCl	0.1 (M)	pH8.5