8T9B

Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	76.661, 130.650, 222.996
Unit cell angles	90.00, 89.76, 90.00

Refinement procedure

Resolution	66.120 - 4.200
R-factor	0.2968
Rwork	0.296
R-free	0.31500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8t7f
RMSD bond length	0.005
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	131.330	4.430
High resolution limit [Å]	4.200	4.200
Rmerge	0.173	1.185
Rmeas	0.211
Rpim	0.119	0.813
Number of reflections	31847	4648
<I/σ(I)>	4.2	1.2
Completeness [%]	97.3	97.8
Redundancy	3	3
CC(1/2)	0.997	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	1.5 M sodium formate, 100 mM Tris-HCl, pH 8.0