7TUE

Crystal structure of Tapasin in complex with HLA-B*44:05 (T73C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	273
Detector technology	PIXEL
Collection date	2021-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	116.866, 116.866, 131.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.120 - 3.100
R-factor	0.2982
Rwork	0.286
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f8u
RMSD bond length	0.002
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.120	3.216
High resolution limit [Å]	3.100	3.100
Rmerge	0.337	0.978
Rmeas	0.369
Rpim	0.149	0.435
Number of reflections	18395	1831
<I/σ(I)>	3.22	0.9
Completeness [%]	99.8	99.62
Redundancy	5.8	6
CC(1/2)	0.940	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	2.0M AmSO4, 0.1M Tris