5XFD

Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2015-10-07
Detector	MPCCD
Wavelength(s)	0.954
Spacegroup name	P 65
Unit cell lengths	105.795, 105.795, 75.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	9.489 - 1.500
R-factor	0.1495
Rwork	0.149
R-free	0.16250
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.478
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	SHELXDE
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	9.500	9.497	1.560
High resolution limit [Å]	1.500	3.088	1.500
Number of reflections	150810	16791
<I/σ(I)>	6.460021	12.72	1.45
Completeness [%]	100.0	100	100
Redundancy	443.377	742.1	179
CC(1/2)	0.990	0.985	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	PEG1500