8HSK

Insulin single mutant INS-Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-05-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.978
Spacegroup name	I 21 3
Unit cell lengths	78.380, 78.380, 78.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.798 - 1.640
Rwork	0.153
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.632
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.800	1.730
High resolution limit [Å]	1.640	1.640
Rmeas	0.117	0.757
Rpim	0.030	0.201
Total number of observations		18793
Number of reflections	9939	1387
<I/σ(I)>	18.8	3.9
Completeness [%]	99.5
Redundancy	15.3	13.5
CC(1/2)	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M Ammonium sulphate, 0.1M MES monohydrate, 30% w/v PEG MME