8E2R

Crystal structure of TadAC-1.14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	P 41 21 2
Unit cell lengths	89.740, 89.740, 112.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.210 - 2.220
R-factor	0.2178
Rwork	0.216
R-free	0.25050
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]	56.000	2.280
High resolution limit [Å]	2.220	2.220
Number of reflections	23294	1711
<I/σ(I)>	15.2
Completeness [%]	99.9
Redundancy	14.2
CC(1/2)	0.999	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium sulfate, HEPES pH 7.5