5BXU

Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.75000
Spacegroup name	P 21 21 21
Unit cell lengths	31.086, 63.279, 72.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.900 - 1.350
R-factor	0.15768
Rwork	0.156
R-free	0.18634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3twq
RMSD bond length	0.023
RMSD bond angle	2.146
Data reduction software	XDS ((VERSION November 11)
Data scaling software	Aimless ((version 0.3.5))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.987	1.355
High resolution limit [Å]	1.350	1.350
Rmerge	0.064	0.711
Number of reflections	31722
<I/σ(I)>	13.7	1.7
Completeness [%]	98.8	92.1
Redundancy	4.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	1.60 M tri-sodium citrate