6P09

Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99203
Spacegroup name	P 21 21 21
Unit cell lengths	72.039, 101.083, 115.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.020 - 2.052
R-factor	0.1717
Rwork	0.170
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xn9
RMSD bond length	0.010
RMSD bond angle	0.804
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.100	0.044
Rmeas	0.098	0.047
Rpim	0.043	0.018	0.604
Total number of observations	388082
Number of reflections	53293	5631	5129
<I/σ(I)>	7.8
Completeness [%]	99.7	99.8	97.4
Redundancy	7.3	7	6.5
CC(1/2)		0.999	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100 mM MES, 100 mM Lithium Acetate, 15% (w/v) polyethylene glycol 3350