11GZ

TEP1 TIR/DUF4062 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 3 2
Unit cell lengths	132.762, 132.762, 132.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.030 - 2.440
R-factor	0.2411
Rwork	0.236
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.721
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.030	2.490
High resolution limit [Å]	2.438	2.450
Rmerge	0.086	2.617
Rmeas	0.086	2.660
Rpim	0.011	0.466
Number of reflections	15064	759
<I/σ(I)>	9.9
Completeness [%]	97.1
Redundancy	58.5	30.5
CC(1/2)	1.000	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1:1 protein:reservoir solution 40 mg/mL protein with 2 mM Benzamide Adenine dinucleotide 14-19% PEG 3350, 0.2 M MgSO4