8BSO

crystal structure of antibody Fab with SiaLac-amidine-Lys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.99985
Spacegroup name	C 1 2 1
Unit cell lengths	117.688, 130.251, 77.693
Unit cell angles	90.00, 123.77, 90.00

Refinement procedure

Resolution	64.580 - 1.920
R-factor	0.1817
Rwork	0.179
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ug7
RMSD bond length	0.009
RMSD bond angle	1.146
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.580	1.989
High resolution limit [Å]	1.920	1.920
Rmerge	0.105	0.804
Number of reflections	74047	7398
<I/σ(I)>	8.85	0.9
Completeness [%]	99.8	99.2
Redundancy	3.7
CC(1/2)		0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	KSCN, PEG MME 2000