9HVX

Toxoplasma gondii GSK3b bound to LY2090314

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	P 21 21 2
Unit cell lengths	56.000, 120.840, 49.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.160 - 2.100
R-factor	0.2033
Rwork	0.198
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.160	6.230	2.380
High resolution limit [Å]	2.100	2.380	2.100
Number of reflections	20469	17237	3232
<I/σ(I)>	8.4	15.3	1.4
Completeness [%]	99.8
Redundancy	5.93
CC(1/2)	0.990	0.960	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1M Sodium Malonate