8HSF

Insulin triple mutant INS-RQD

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	2022-05-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.978
Spacegroup name	H 3
Unit cell lengths	79.860, 79.860, 38.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.900 - 2.900
R-factor	0.2594
Rwork	0.258
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.476
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900	3.060
High resolution limit [Å]	2.900	2.900
Rmeas	0.077	0.493
Rpim	0.038	0.236
Total number of observations	7847	1216
Number of reflections	2056	319
<I/σ(I)>	10.8	2.4
Completeness [%]	99.6
Redundancy	3.8	3.8
CC(1/2)	0.995	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1M Imidazole