6HM5

Crystal structure of TOPBP1 BRCT0,1,2 in complex with a RAD9 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	2014-11-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91407
Spacegroup name	P 1 21 1
Unit cell lengths	59.050, 34.070, 66.670
Unit cell angles	90.00, 103.57, 90.00

Refinement procedure

Resolution	38.699 - 2.330
R-factor	0.205336955188
Rwork	0.201
R-free	0.24149
RMSD bond length	0.002
RMSD bond angle	0.516
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	2.413
High resolution limit [Å]	2.330	2.330
Number of reflections	11242
<I/σ(I)>	9.72
Completeness [%]	99.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287.15	100 mM bicine/Trizma base pH 8.5, 300 mM diethyleneglycol, 300 mM triethyleneglycol, 300 mM tetraethyleneglycol, 300 mM pentaethyleneglycol, 10% w/v PEG 20000 and 20% v/v PEG MME 550