9R4C

Spitrobot-2 advances time-resolvedcryo-trapping crystallography to under 25 ms: Human insulin, pH 4.5 (500 ms soaking)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-08
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	I 21 3
Unit cell lengths	78.438, 78.438, 78.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.250 - 1.410
R-factor	0.17446
Rwork	0.173
R-free	0.20062
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.814
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.219	1.486
High resolution limit [Å]	1.407	1.407
Number of reflections	13933	697
<I/σ(I)>	8.9
Completeness [%]	94.1
Redundancy	8.03
CC(1/2)	0.997	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	9	293	1.0 M sodium/potassium phosphate, pH 9.0 & crystal soaking in pH 4.5 for 500 ms