7NHU

Crystal structure of desB30 insulin produced by cell free protein synthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-06
Detector	DECTRIS EIGER X 1M
Wavelength(s)	1.54184
Spacegroup name	I 21 3
Unit cell lengths	77.939, 77.939, 77.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 1.400
R-factor	0.1593
Rwork	0.159
R-free	0.17120
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6s34
RMSD bond length	0.009
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.970	1.452
High resolution limit [Å]	1.400	1.400
Rmerge	0.069	0.738
Rmeas	0.070	0.819
Rpim	0.012	0.338
Number of reflections	15199	5656
<I/σ(I)>	53.42
Completeness [%]	97.1	72.72
Redundancy	28.9	4.9
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium formate, 20 % (w/v) PEG 3350