7F35

Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-06-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 42 21 2
Unit cell lengths	184.071, 184.071, 100.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.640 - 2.600
R-factor	0.2018
Rwork	0.200
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1egj
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	2.680
High resolution limit [Å]	2.600	2.600
Rmerge	0.102
Rmeas	0.106
Rpim	0.028
Number of reflections	53623	4571
<I/σ(I)>	29.2	2.2
Completeness [%]	100.0
Redundancy	26.4
CC(1/2)	1.000	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium acetate pH 4.9, 0.2 M sodium chloride, 1.4 M ammonium sulfate