8T7I

Structure of the S1CE variant of Fab F1 (FabS1CE-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	P 42 21 2
Unit cell lengths	74.000, 74.000, 219.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.320 - 2.600
R-factor	0.2052
Rwork	0.201
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dvn
RMSD bond length	0.008
RMSD bond angle	1.082
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.175	1.525
Rmeas	0.190	1.655
Rpim	0.074	0.635
Number of reflections	20950	2408
<I/σ(I)>	8.1	1.5
Completeness [%]	95.0	100
Redundancy	6.4	6.7
CC(1/2)	0.996	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	20% w/v PEG3350, 100 mM Bis-Tris propane, pH 6.5, 200 mM sodium nitrate