6RML

Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide

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	2014-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	84.440, 84.440, 225.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.550 - 2.810
R-factor	0.2247
Rwork	0.223
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xnh
RMSD bond length	0.004
RMSD bond angle	0.667
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.550	2.910
High resolution limit [Å]	2.810	2.810
Number of reflections	23386	2287
<I/σ(I)>	17.91
Completeness [%]	100.0
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287.15	10% w/v PEG 20 000 20% v/v PEG MME 550 0.03 M of each ethylene glycol 0.1 M MES/imidazole pH 6.5