8BJZ

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	115.910, 130.680, 76.910
Unit cell angles	90.00, 123.66, 90.00

Refinement procedure

Resolution	48.240 - 1.890
R-factor	0.1875
Rwork	0.186
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ug7
RMSD bond length	0.008
RMSD bond angle	1.179
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]	48.250	1.958
High resolution limit [Å]	1.890	1.890
Rmerge	0.122
Number of reflections	75740	7542
<I/σ(I)>	8.15
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)	0.990	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	MES, PEG 6K, ZnCl2