8TQ7

Crystal structure of Fab.34.2.12 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	2022-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	87.587, 113.326, 196.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.620 - 2.800
R-factor	0.2272
Rwork	0.225
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5weu
RMSD bond length	0.004
RMSD bond angle	0.680
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]	56.620	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.099	1.320
Rpim	0.041	0.547
Number of reflections	48825	4505
<I/σ(I)>	12.9	1.2
Completeness [%]	96.9	93.5
Redundancy	6.7	6.7
CC(1/2)	0.998	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	12% PEG8000, 0.1 M MES, pH 6.5