5U6K

Crystal structure of TopBP1 BRCT4/5 in complex with a BLM phosphopeptide

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	2014-07-05
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	98.164, 96.817, 127.050
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	47.874 - 2.600
R-factor	0.2211
Rwork	0.219
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uen
RMSD bond length	0.003
RMSD bond angle	0.546
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.126	0.064	0.823
Number of reflections	71934
<I/σ(I)>	9.7		1.9
Completeness [%]	98.8	99.9	93.1
Redundancy	6.3	7	4.3
CC(1/2)		0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	295.15	0.1M Sodium Citrate 24% PEG8000