25HF

SFX crystal structure of insulin aspart

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2023-10-26
Detector	MPCCD
Wavelength(s)	0.99
Spacegroup name	H 3
Unit cell lengths	80.080, 80.080, 38.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.120 - 2.200
R-factor	0.2649
Rwork	0.254
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.612
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	9572	466
<I/σ(I)>	3.5
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.920	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M sodium acetate trihydrate, pH 8.5, 0.1 M Tris-HCl.