9OAW

TNA polymerase, 10-92, binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	86.437, 108.253, 123.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.300 - 2.170
R-factor	0.2173
Rwork	0.216
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	2.250
High resolution limit [Å]	2.170	2.172
Rmerge	0.105	2.163
Number of reflections	61779	6048
<I/σ(I)>	10.73
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.998	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.06 M magnesium chloride hexahydrate, 0.06 M calcium chloride dihydrate, 0.1 M imidazole, 0.1 M 2-(N-morpholino) ethanesulfonic acid pH 6, 17.5 % glycerol, and 7.5 % polyethylene glycol 4000