6WH1

Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains

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	2012-04-09
Detector	MAR CCD 130 mm
Wavelength(s)	1.12712
Spacegroup name	P 32 2 1
Unit cell lengths	88.073, 88.073, 43.039
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.480 - 2.400
R-factor	0.226
Rwork	0.221
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.693
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.483	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	6860	376
<I/σ(I)>	29.9
Completeness [%]	98.4	97.8
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	8-10% isopropanol and 0.1M Bis-Tris pH 5.5