7OBN

Structural investigations of a new L3 DNA ligase: structure-function analysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	125.473, 45.552, 111.459
Unit cell angles	90.00, 103.94, 90.00

Refinement procedure

Resolution	24.620 - 2.450
R-factor	0.259
Rwork	0.257
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q2t
RMSD bond length	0.011
RMSD bond angle	1.892
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.084	0.957
Rpim	0.056	0.724
Number of reflections	22036	2031
<I/σ(I)>	7.9	0.9
Completeness [%]	96.4	72.4
Redundancy	3.6
CC(1/2)	0.990	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	26% PEG 3350, 100 mM Bis-Tris pH 5.5