7M3P

Xrcc4-Spc110p(164-207) fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	80
Detector technology	CCD
Collection date	2016-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.115869
Spacegroup name	P 1
Unit cell lengths	38.131, 52.168, 55.916
Unit cell angles	100.80, 94.15, 112.83

Refinement procedure

Resolution	35.734 - 2.000
R-factor	0.206492953569
Rwork	0.204
R-free	0.24729
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fu1
RMSD bond length	0.005
RMSD bond angle	0.575
Data reduction software	XDS (October 15, 2015)
Data scaling software	XSCALE (October 15, 2015)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.734	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.031	0.164
Rmeas	0.043	0.225
Number of reflections	50099	5015
<I/σ(I)>	17.36	5.45
Completeness [%]	93.0
Redundancy	2.1
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	13% PEG3350 and 0.2 M magnesium formate