9S2Q

NH-triazol-modified insulin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978564
Spacegroup name	I 21 3
Unit cell lengths	77.760, 77.760, 77.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.492 - 1.371
R-factor	0.1834
Rwork	0.181
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	2.368
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.492	1.650
High resolution limit [Å]	1.371	1.560
Rmeas	0.050	1.000
Number of reflections	15063	1803
<I/σ(I)>	43.51	3.6
Completeness [%]	100.0	100
Redundancy	20	15
CC(1/2)	1.000	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4M Sodium malonate dibasic monohydrate pH 7.0