8T7G

Structure of the CK variant of Fab F1 (FabC-F1)

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	2022-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	106.707, 73.752, 70.029
Unit cell angles	90.00, 116.54, 90.00

Refinement procedure

Resolution	62.650 - 2.000
R-factor	0.1962
Rwork	0.194
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8t7f
RMSD bond length	0.007
RMSD bond angle	0.857
Data reduction software	XDS (AUTOPROC)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.650	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.105	1.179
Rmeas	0.120
Rpim	0.058	0.870
Number of reflections	40653	1987
<I/σ(I)>	12.7	1.1
Completeness [%]	96.4	78.1
Redundancy	3.8	2.7
CC(1/2)	0.996	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	22% PEG8000, 200 mM sodium chloride, 100 mM sodium acetate, pH 4.0