7RSU

TNA polymerase, n+2 product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	65.540, 111.694, 148.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.295 - 2.100
R-factor	0.1831
Rwork	0.182
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vu9
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.295	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.074
Number of reflections	64028	6036
<I/σ(I)>	16.77
Completeness [%]	97.9
Redundancy	6.1
CC(1/2)	0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M magnesium acetate tetrahydrate, 0.1M 3-(N-morpholino)propanesulfonic acid, 10% PEG 8000