6GW9

Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-06-17
Detector	AGIPD
Wavelength(s)	1.660
Spacegroup name	I 2 2 2
Unit cell lengths	63.800, 88.100, 90.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.100
R-factor	0.1883
Rwork	0.186
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.002
RMSD bond angle	0.577
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	15227
<I/σ(I)>	7.2	2
Completeness [%]	100.0
Redundancy	715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	batch crystallization, acetone