3JVE

Crystal Structure of the Sixth BRCT Domain of TopBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Detector technology	CCD
Collection date	2008-07-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	35.767, 51.824, 62.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.780 - 1.340
R-factor	0.159
Rwork	0.158
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.208
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.390
High resolution limit [Å]	1.340	2.890	1.340
Rmerge	0.054	0.031	0.357
Number of reflections	26433
<I/σ(I)>	9
Completeness [%]	99.0	99.1	91.6
Redundancy	6.5	6.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	0.1M Tris-HCl pH 6.8, PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K