5E50

APLF/XRCC4 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-09
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9805
Spacegroup name	P 21 21 21
Unit cell lengths	38.496, 58.540, 94.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.971 - 1.376
R-factor	0.1384
Rwork	0.137
R-free	0.17370
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.420
High resolution limit [Å]	1.370	1.370
Rmerge		0.400
Number of reflections	45157
<I/σ(I)>	26.7	3.7
Completeness [%]	98.0	80.4
Redundancy	6.5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Protein complex at 10 mg/ml, in 50 mM HEPES pH 7.5, 150 mM NaCl, 5 mM beta-mercaptoethanol. The complex crystallised from hanging drops set up at 18 oC with equal volumes of protein and reservoir solution 0.1M Tris pH 8.0, 30% w/v PEG 3350, 0.2M MgCl2.