7KR3

Human DNA Ligase 1(E346A/E592A) Bound to a bulged DNA substrate

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	73.681, 101.665, 115.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.840 - 2.778
R-factor	0.1974
Rwork	0.193
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p09
RMSD bond length	0.002
RMSD bond angle	0.508
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	2.850
High resolution limit [Å]	2.778	2.778
Number of reflections	21959	1097
<I/σ(I)>	21.53
Completeness [%]	97.5
Redundancy	6
CC(1/2)		0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 150 mM lithium acetate, 10% (w/v) polyethylene glycol 3350