8TS5

Structure of the apo FabS1C_C1

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 1 21 1
Unit cell lengths	44.688, 73.792, 174.202
Unit cell angles	90.00, 96.37, 90.00

Refinement procedure

Resolution	86.560 - 2.100
R-factor	0.222
Rwork	0.220
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8trs
RMSD bond length	0.007
RMSD bond angle	0.968
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]	86.560	2.020
High resolution limit [Å]	1.980	1.980
Rmerge	0.095	0.648
Rmeas	0.114	0.768
Rpim	0.061	0.408
Number of reflections	76017	3866
<I/σ(I)>	10.4	1.8
Completeness [%]	96.9	82.6
Redundancy	3.4	3.5
CC(1/2)	0.993	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, 17% PEG10000