9TB0

Complex structure of AMPylated EF-Tu-T62A bound to SoFic-H198A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-23
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	66.843, 95.942, 100.170
Unit cell angles	112.90, 100.62, 90.43

Refinement procedure

Resolution	33.030 - 2.760
R-factor	0.196
Rwork	0.194
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	STARANISO (2.3.74)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.352	3.141
High resolution limit [Å]	2.760	2.764
Rmerge	0.060	0.625
Number of reflections	29290	1465
<I/σ(I)>	6	1.6
Completeness [%]	88.3	56.8
Redundancy	3.6	3.8
CC(1/2)	0.998	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	0.1 M Tris-HCl (pH 8.5), 8 % (v/v) PEG 8000