4HTO

Crystal structure of the DBD domain of human DNA ligase IV Apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	90
Detector technology	CCD
Collection date	2010-03-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	F 41 3 2
Unit cell lengths	196.236, 196.236, 196.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.057 - 2.807
R-factor	0.21
Rwork	0.207
R-free	0.25900
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.057	50.000	2.910
High resolution limit [Å]	2.800	5.810	2.800
Rmerge	0.064	0.030	0.684
Number of reflections	8420
<I/σ(I)>	70.1	60	6.1
Completeness [%]	99.8	100	100
Redundancy	22.7	19	23.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	16 % PEG 3350, 200 mM (NH4)3PO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
2	VAPOR DIFFUSION, HANGING DROP	7	293.15	16 % PEG 3350, 200 mM (NH4)3SO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K