3PC8

X-ray crystal structure of the heterodimeric complex of XRCC1 and DNA ligase III-alpha BRCT domains.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-25
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	66.320, 163.480, 36.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.511 - 2.310
R-factor	0.1998
Rwork	0.197
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		2.370
High resolution limit [Å]	2.310	10.320	2.310
Rmerge	0.050	0.030	0.244
Number of reflections	17621	246	1094
<I/σ(I)>	26.14	54.3	6.4
Completeness [%]	96.0	95	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	30% PEG 4000, 0.1M Tris, and 0.2 M MgCl2 , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K