8TFZ

tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	55.759, 44.585, 72.142
Unit cell angles	90.00, 103.48, 90.00

Refinement procedure

Resolution	37.630 - 2.060
R-factor	0.232
Rwork	0.229
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tfi
RMSD bond length	0.013
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.111	0.651
Rpim	0.052	0.358
Number of reflections	20494	1027
<I/σ(I)>	21	2
Completeness [%]	95.1
Redundancy	5.5
CC(1/2)	0.995	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Tris-Bicine (pH 8.5), 0.12 M divalent cations mixture (0.06 M each of magnesium chloride hexahydrate and calcium chloride dihydrate), 12.5 % MPD, 12.5% PEG-1000, and 12.5% PEG-3350