7OMC

Tankyrase 2 in complex with an inhibitor (OUL228)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	90.690, 98.180, 117.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.138 - 2.100
Rwork	0.181
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ows
RMSD bond length	0.004
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	30936	3040
<I/σ(I)>	22.06
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM Tris pH=8.5, 200mM Lithium Sulphate, 20% PEG3350