5Z78

Structure of TIRR/53BP1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 65
Unit cell lengths	167.108, 167.108, 46.505
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.635 - 1.762
R-factor	0.2062
Rwork	0.206
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g3r 4zg0
RMSD bond length	0.008
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	144.720	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.085
Rpim		0.645
Number of reflections	73765	7330
<I/σ(I)>	74.8
Completeness [%]	99.9
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Bis-Tris propane,PEG MME550