4NM0

Crystal structure of peptide inhibitor-free GSK-3/Axin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-09
Detector	PSI PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 61 2 2
Unit cell lengths	81.303, 81.303, 280.829
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.048 - 2.500
R-factor	0.1931
Rwork	0.191
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nm7
RMSD bond length	0.003
RMSD bond angle	0.626
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.050	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.112	1.839	0.017
Rpim	0.036	0.576	0.006
Total number of observations	192347	21770	3969
Number of reflections	20069
<I/σ(I)>	18.4	1.2
Completeness [%]	100.0	99.9
Redundancy	9.6	9.9
CC(1/2)	0.999	0.726	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.5	277	10% PEG 35,000, 20mM Tris 7.5, 300mM NaCl, 5% glycerol, 20mM MgCl2, 400uM ATP, and 5mM DTT, MICRODIALYSIS, temperature 277K