8GSG

T3R3 form of Human insulin with single Zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	80.018, 80.018, 36.229
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.530 - 2.050
R-factor	0.1738
Rwork	0.172
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1trz
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.530	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.044	0.170
Rmeas	0.049
Rpim	0.021
Number of reflections	5407	519
<I/σ(I)>	28.04	9.33
Completeness [%]	99.6	97.38
Redundancy	5.2	5.1
CC(1/2)	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	0.1 M HEPES pH7.5,10% (v/v) PEG 6000, 5% (v/v) MPD