8SYJ

Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.28
Spacegroup name	P 21 21 21
Unit cell lengths	63.554, 89.116, 128.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.490 - 2.200
R-factor	0.2288
Rwork	0.225
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.904
Data reduction software	DIALS (2.2.5)
Data scaling software	DIALS (2.2.5)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.127	1.270
Rpim	0.051	0.561
Number of reflections	70908	6310
<I/σ(I)>	8.2	1.6
Completeness [%]	99.8
Redundancy	6.1
CC(1/2)	0.997	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	2.5 M ammonium sulfate cryoprotected by inclusion of 1.5 M lithium sulfate and soaked in the presence of 0.1 M sodium iodide