8TFX

tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with 2',5'-ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	38.554, 44.626, 124.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 1.700
R-factor	0.1775
Rwork	0.176
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tfi
RMSD bond length	0.014
RMSD bond angle	1.467
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.630	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	0.722
Rpim	0.016	0.223
Number of reflections	24459	1269
<I/σ(I)>	25.4	2.7
Completeness [%]	100.0	99.9
Redundancy	11	11.1
CC(1/2)	1.000	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1-0.3 M Tris-Bicine (pH 8.3 or 8.5), 0.1 M amino acid additives mixture (0.02 M each of DL-glutamic acid monohydrate, DL-alanine, glycine, DL-lysine monohydrate and DL-serine), 16-29.6% ethylene glycol, and 8-14.8% PEG-8000