6Q1V

Human DNA Ligase 1 (E592R) Bound to an Adenylated, hydroxyl terminated DNA nick

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	2017-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	71.486, 101.171, 115.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.875 - 1.850
R-factor	0.1641
Rwork	0.163
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x9n
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.841	3.990	1.850
Rmerge	0.081	0.054
Rmeas	0.084	0.058
Rpim	0.035	0.022	0.606
Number of reflections	72997	7641	7198
<I/σ(I)>	8.4
Completeness [%]	99.9	99.6	100
Redundancy	6.9	6.6	7
CC(1/2)		0.997	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	100 mM MES, 100 mM Lithium Acetate, 15% (w/v) PEG 3350