8TFY

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-16
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	38.671, 44.531, 124.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 1.540
R-factor	0.172
Rwork	0.170
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tfi
RMSD bond length	0.008
RMSD bond angle	0.968
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.073	1.005
Rpim	0.024	0.398
Number of reflections	33140	1611
<I/σ(I)>	42.5
Completeness [%]	100.0	99.9
Redundancy	9.3	6.4
CC(1/2)	0.997	0.807

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