6GDR

DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases

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	2016-11-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	I 1 2 1
Unit cell lengths	65.024, 71.207, 117.160
Unit cell angles	90.00, 94.82, 90.00

Refinement procedure

Resolution	24.840 - 2.330
R-factor	0.2205
Rwork	0.218
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.920	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.075	1.387
Rmeas	0.088	1.635
Rpim	0.046	0.086
Number of reflections	22739	2184
<I/σ(I)>	14.6	1.2
Completeness [%]	98.8	96.1
Redundancy	6.9	6.9
CC(1/2)	0.999	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	24% PEG 4K, 100 mM Bis-Tris pH 5.5, 12% ethyleneglycol