8V1W

Human DNA Ligase I F872A 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	2021-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	72.433, 103.514, 114.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.540 - 2.200
R-factor	0.1768
Rwork	0.175
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.694
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	2.240
High resolution limit [Å]	2.200	2.200
Rmeas	0.156	0.954
Number of reflections	44669	2153
<I/σ(I)>	12
Completeness [%]	99.6	98.4
Redundancy	5.4

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%