3QVG

XRCC1 bound to DNA ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-25
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	38.140, 61.470, 163.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.061 - 2.260
R-factor	0.2023
Rwork	0.199
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 3PC7 3pc6
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.340
High resolution limit [Å]	2.260	4.870	2.260
Rmerge	0.071	0.056	0.261
Number of reflections	18358
<I/σ(I)>	20.9
Completeness [%]	97.5	99.7	80.4
Redundancy	6.3	6.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	30 % PEG4000, 0.1 M Tris, 0.2 M NaAcetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K