9RQQ

Tankyrase 2 in complex with an inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 41 21 2
Unit cell lengths	66.433, 66.433, 118.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.250 - 1.890
R-factor	0.1942
Rwork	0.192
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.890	1.890
Rmerge		0.536
Number of reflections	21781	3428
<I/σ(I)>	11.82
Completeness [%]	99.7
Redundancy	6.36
CC(1/2)	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM Tris pH 8.5, 22% PEG3350, 200 mM Li2SO4, 250 mM NaCl, 20% glycerol