6WBO

DNA-Ligase from Thermococcus gammatolerans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.14796
Spacegroup name	P 21 21 21
Unit cell lengths	91.670, 92.750, 98.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.326 - 2.650
R-factor	0.233
Rwork	0.233
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rr5
RMSD bond length	0.034
RMSD bond angle	2.074
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.330	39.330	2.740
High resolution limit [Å]	2.650	5.700	2.650
Rmerge	0.121	0.036	0.635
Rmeas		0.042	0.773
Rpim		0.020	0.429
Number of reflections	23996	2633	1966
<I/σ(I)>	11.18
Completeness [%]	95.0		80.1
Redundancy	3.9
CC(1/2)	0.994	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	4% (w/v) PEG 8000, 100 mM Potassium phosphate monobasic/ Sodium phosphate dibasic pH 6.2, 150 mM NaCl