8TQ9

Crystal structure of Fab.S19.8 in complex with MHC-I (H2-Dd)

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	2020-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	54.901, 183.181, 216.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.180 - 2.900
R-factor	0.1897
Rwork	0.187
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5weu
RMSD bond length	0.003
RMSD bond angle	0.578
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.180	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.108	1.158
Rpim	0.042	0.455
Number of reflections	24406	2174
<I/σ(I)>	7.4	7.2
Completeness [%]	95.4	89.8
Redundancy	7.4	1.8
CC(1/2)	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.5 M ammonium sulfate, 0.1 M sodium citrate, pH 5.6, 1.0 M lithium sulfate