9I9H

Structure of FAB-fragment GB11 in complex with Sialyl Lewis A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	39.838, 108.697, 108.920
Unit cell angles	89.60, 87.34, 89.25

Refinement procedure

Resolution	26.696 - 2.960
Rwork	0.210
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.321
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.980	3.020
High resolution limit [Å]	2.900	2.900
Rmeas	0.407	2.583
Rpim	0.222	1.359
Number of reflections	40947	4497
<I/σ(I)>	2.8	0.6
Completeness [%]	98.2
Redundancy	3
CC(1/2)	0.915	0.189

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	sodium malonate PEG 3350