9QJZ

Crystal structure of ARC4 from human Tankyrase 2 in complex with phosphorylated peptide from human MDC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977950
Spacegroup name	P 65
Unit cell lengths	118.957, 118.957, 48.322
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.740 - 2.310
R-factor	0.1871
Rwork	0.185
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.722
Data reduction software	XDS (01 May 2016)
Data scaling software	Aimless (0.5.1)
Phasing software	PHENIX (2.7.15)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.740	2.390
High resolution limit [Å]	2.310	2.310
Rmerge	0.787	5.785
Rmeas	0.829	6.129
Rpim	0.259	2.017
Number of reflections	17376	1688
<I/σ(I)>	7	1.5
Completeness [%]	100.0	100
Redundancy	10.1	9.2
CC(1/2)	0.941	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.1 M Na cacodylate pH 6.5, 0.2 M Na acetate, 30% PEG 8000