6P0C

Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA

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	2015-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	71.235, 101.322, 115.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.602 - 1.550
R-factor	0.1322
Rwork	0.130
R-free	0.16530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x9n
RMSD bond length	0.006
RMSD bond angle	0.838
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	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.110	0.063	1.932
Rmeas	0.119	0.068	2.112
Rpim	0.045	0.025	0.837
Total number of observations	831310
Number of reflections	120809	12815	10934
<I/σ(I)>	8.6
Completeness [%]	97.9	99.5	89.6
Redundancy	6.9	7.1	6.1
CC(1/2)		0.996	0.496

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) PEG 3350