6WH2

Structure of the C-terminal BRCT domain of human XRCC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-02
Detector	MAR CCD 130 mm
Wavelength(s)	1.12712
Spacegroup name	P 21 21 21
Unit cell lengths	38.975, 54.348, 101.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.880 - 2.414
R-factor	0.2273
Rwork	0.224
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdz
RMSD bond length	0.002
RMSD bond angle	0.486
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.890	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	8682	294
<I/σ(I)>	18.3
Completeness [%]	98.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	10-14% PEG 3350, 0.1M Bis-Tris pH 5.5 and 0.2M MgCl2