8VDT

DNA Ligase 1 with nick DNA 3'rA:T

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)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	64.170, 115.342, 125.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.830 - 2.780
R-factor	0.207
Rwork	0.203
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.582
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]	24.830	2.850
High resolution limit [Å]	2.780	2.780
Rpim	0.042	0.378
Number of reflections	23397	1162
<I/σ(I)>	14.9
Completeness [%]	98.5	99.7
Redundancy	6.1
CC(1/2)	0.995	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298.5	100mM MES, pH 6.4, 100mM Lithium Acetate, 12 w/vPEG 3350