8TQ5

Crystal structure of Fab DX17 in complex with MHC-I (HLA-B*44:05)

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	2021-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	77.115, 104.427, 131.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.240 - 2.300
R-factor	0.1945
Rwork	0.193
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tue
RMSD bond length	0.003
RMSD bond angle	0.653
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]	43.240	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	1.500
Rpim	0.029	0.509
Number of reflections	46944	4508
<I/σ(I)>	17.6	1.5
Completeness [%]	97.9	95.5
Redundancy	9
CC(1/2)	0.999	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	12% PEG20000, 0.1 M MES, pH 6.5