9QLD

Rhombohedral crystalline form of human insulin complexed with m-nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	H 3
Unit cell lengths	78.932, 78.932, 39.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.470 - 2.550
R-factor	0.1937
Rwork	0.191
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.566
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	2.670
High resolution limit [Å]	2.550	2.550
Rmerge	0.034	0.308
Rmeas	0.048	0.435
Number of reflections	2966	379
<I/σ(I)>	15.2	2.2
Completeness [%]	99.4	100
Redundancy	2	2
CC(1/2)	0.995	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	294.15	12.78 mg/mL human insulin, 0.77 mM zinc acetate, 40.06 mM m-nitrophenol, 10.09 mM sodium thiocyanate, 0.4 M sodium-monopotassium phosphate mixture