7RE9

TCR mimic antibody (Fab fragment)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	134.325, 40.348, 161.807
Unit cell angles	90.00, 105.15, 90.00

Refinement procedure

Resolution	66.330 - 2.770
R-factor	0.2275
Rwork	0.223
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m6m 6pzh
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.350	2.820
High resolution limit [Å]	2.770	2.770
Number of reflections	21759	1118
<I/σ(I)>	8.9
Completeness [%]	99.1
Redundancy	6.3
CC(1/2)	0.967	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	15% w/v Polyethylene glycol 6,000 and 5.00 % w/v Glycerol