7KR4

Human DNA Ligase 1(E346A/E592A) Bound to a nicked DNA substrate control duplex

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	2020-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	72.374, 96.556, 114.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.916 - 2.200
R-factor	0.1648
Rwork	0.162
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p09
RMSD bond length	0.012
RMSD bond angle	1.162
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	42631	2078
<I/σ(I)>	15.7
Completeness [%]	99.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 100 mM lithium acetate, 12% (w/v) polyethylene glycol 3350