9GP8

Crystal Structure of TgoT_PGLVVWA XNA Polymerase (Apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.953738
Spacegroup name	P 21 21 21
Unit cell lengths	60.199, 105.801, 156.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.900 - 2.180
R-factor	0.231
Rwork	0.228
R-free	0.28240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.099
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.200	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.092
Number of reflections	53068	5279
<I/σ(I)>	12.09
Completeness [%]	100.0	99.73
Redundancy	8.78
CC(1/2)	0.998	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	283	2 M ammonium sulfate, 0.1 M CAPS, 0.2 M lithium sulfate