8AV1

Crystal structure of GSK3 beta (GSK3b) in complex with CD7.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	67.196, 112.106, 67.320
Unit cell angles	90.00, 98.17, 90.00

Refinement procedure

Resolution	57.280 - 2.150
R-factor	0.1801
Rwork	0.178
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q3d
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.280	57.280	2.230
High resolution limit [Å]	2.150	8.330	2.150
Rmerge	0.093	0.055	0.866
Rmeas	0.109	0.060	1.027
Rpim	0.042	0.022	0.395
Number of reflections	53104	948	5161
<I/σ(I)>	11.8		2.1
Completeness [%]	99.0	99.3	98.7
Redundancy	6.5	7	6.6
CC(1/2)	0.998	0.997	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	14% PEG 3350, 0.1 M ammonium sulfate and 0.1 M bis-tris pH 6.0