8V1V

Human DNA Ligase I F872L bound to adenylated nicked DNA

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	2021-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	72.966, 96.582, 114.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.870 - 2.300
R-factor	0.1814
Rwork	0.179
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.649
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmeas	0.218	0.941
Number of reflections	35438	1750
<I/σ(I)>	12.75
Completeness [%]	96.3	97.3
Redundancy	5.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	MES pH5.5 100mM, Lithium acetate 500mM, PEG 3350 10%