8U3S

Structure of human TIRR in complex with VHH4 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 41 21 2
Unit cell lengths	48.076, 48.076, 238.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.2187
Rwork	0.214
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.129	0.924
Rmeas	0.143	1.056
Rpim	0.060	0.491
Number of reflections	23137	2231
<I/σ(I)>	7.89	0.82
Completeness [%]	85.4	73.15
Redundancy	5.5	3.6
CC(1/2)	0.997	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Crystals were produced by the hanging-drop vapor diffusion method by mixing 2 microliters of the protein (in 10 mM HEPES, 50 mM NaCl, 2 mM TCEP, pH 7.5) and 2 microliters of the reservoir solution made up of 8% Tacsimate, pH 5, and 20% PEG 3,350