8VDN

DNA Ligase 1 with nick dG:C

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	2022-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	64.977, 115.631, 126.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.520 - 2.390
R-factor	0.2087
Rwork	0.207
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.390	2.390
Rpim	0.031	0.510
Number of reflections	38037	1880
<I/σ(I)>	17.1	1.1
Completeness [%]	99.4	100
Redundancy	6.5
CC(1/2)	0.994	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	100 mM MES, pH 6.4, 100 mM Lithium acetate, 12% w/v PEG 3350