8E2S

Crystal structure of TadAC-1.19

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	2021-08-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 1
Unit cell lengths	59.495, 63.396, 95.169
Unit cell angles	87.89, 82.82, 77.14

Refinement procedure

Resolution	51.490 - 2.950
R-factor	0.2207
Rwork	0.219
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e2p
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.880	3.030
High resolution limit [Å]	2.950	2.950
Number of reflections	27706	2043
<I/σ(I)>	2.9
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.918	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3,350, ammonium citrate tribasic pH 7.0)