7OJO

Tankyrase 2 in complex with two small molecule fragments

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	2020-11-09
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	41.645, 76.386, 148.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.549 - 2.300
Rwork	0.232
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nob
RMSD bond length	0.003
RMSD bond angle	1.198
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	148.880	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	21934	2067
<I/σ(I)>	5.9
Completeness [%]	99.9
Redundancy	24.4
CC(1/2)	0.981	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100mM Tris pH=8.5, 200 mM Li2SO4, 24% PEG3350