9TCK

Shewanella oneidensis EF-Tu-T62A:GDP AMPylated at T65

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.68879
Spacegroup name	P 21 21 21
Unit cell lengths	67.218, 73.589, 76.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.950 - 1.800
R-factor	0.1748
Rwork	0.173
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.348
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	Aimless (Version 0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.953	1.791
High resolution limit [Å]	1.677	1.677
Rmerge	0.131	2.013
Number of reflections	37214	1861
<I/σ(I)>	14.2	1.4
Completeness [%]	94.9	57.1
Redundancy	13.6	13.7
CC(1/2)	0.999	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M di-Ammonium tartrate, 20 % PEG 3350