9M4X

Cubic insulin crystal, Esrapid, at pH 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9
Spacegroup name	I 21 3
Unit cell lengths	77.970, 77.970, 77.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.490 - 1.400
R-factor	0.1906
Rwork	0.188
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.668
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.490	1.451
High resolution limit [Å]	1.400	1.400
Number of reflections	197102	15684
<I/σ(I)>	23.03
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20mM citric acid, 0.5M sodium phosphate dibasic dihydrate, 0.1M sodium sulfate, pH 2