9BS3

Wild type DNA Ligase 1 with 5'-rG: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	2023-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	71.348, 117.287, 104.048
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	24.860 - 2.690
R-factor	0.2096
Rwork	0.208
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
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]	25.000	2.750
High resolution limit [Å]	2.690	2.690
Rmeas	0.184	0.809
Rpim	0.074	0.313
Number of reflections	45825	2314
<I/σ(I)>	13	1.8
Completeness [%]	97.6
Redundancy	6.2
CC(1/2)	0.980	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298.15	100mM MES pH 5.3, 18% PEG3350, 100mM Lithium Acetate.