9D6O

Loop-Deleted DNA Polymerase Theta Polymerase Domain in Complex with a dsDNA Overhang and an Allosteric Inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 31 2 1
Unit cell lengths	172.356, 172.356, 62.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	149.260 - 3.310
R-factor	0.209
Rwork	0.209
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	DIALS (3.8)
Data scaling software	DIALS (3.8)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	149.420	3.370
High resolution limit [Å]	3.310	3.310
Rmerge	0.218	2.203
Rmeas	0.224	2.257
Rpim	0.050	0.489
Number of reflections	16006	772
<I/σ(I)>	8.3	0.5
Completeness [%]	99.2	100
Redundancy	20	20.9
CC(1/2)	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	0.1M Bis Tris Propane pH 7.5, 18% (w/v) PEG 3350, 0.29M Sodium Tartrate