3UEO

Crystal structure of TopBP1 BRCT4/5 domains in complex with a phospho-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	298
Detector technology	CCD
Collection date	2011-02-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	58.810, 59.100, 78.310
Unit cell angles	102.05, 98.04, 114.34

Refinement procedure

Resolution	34.566 - 2.600
R-factor	0.192
Rwork	0.190
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.132
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.600		2.700
High resolution limit [Å]	2.600	10.000	2.600
Rmerge	0.059	0.018	0.402
Number of reflections	26653	460	2880
<I/σ(I)>	11.89	38.6	2.23
Completeness [%]	95.2	94.1	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	PEG 10000, Ammonium acetate, bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K