7L34

Human DNA Ligase 1 - R641L nicked DNA complex

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	2017-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	61.930, 110.745, 114.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.360 - 1.901
R-factor	0.1699
Rwork	0.169
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p0a
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.093	0.873
Number of reflections	62128	5586
<I/σ(I)>	18.6
Completeness [%]	98.8
Redundancy	6.2
CC(1/2)	0.997	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, pH 6, 100 mM lithium acetate, 15% (w/v) polyethylene glycol PEG3350