7S7I

Crystal structure of Fab in complex with MICA alpha3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	92.778, 170.432, 148.894
Unit cell angles	90.00, 105.81, 90.00

Refinement procedure

Resolution	44.630 - 2.400
R-factor	0.2222
Rwork	0.220
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xj4 4nm4 1hyr
RMSD bond length	0.010
RMSD bond angle	1.602
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]	170.430	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.087	0.734
Rpim	0.055	0.478
Number of reflections	172438	7781
<I/σ(I)>	8.9	1.5
Completeness [%]	99.4
Redundancy	3.5
CC(1/2)	0.996	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 20000, 0.1 M Na citrate pH 5.4, 0.2 M MgCl2