Evidence: This assembly is a standard one molecule of human insulin.
Type
Name
Symmetry operation
Number
identity operation
1_555
x,y,z
1
Buried area
1280 Å2
ΔGint
-13 kcal/mol
Surface area
3710 Å2
Method
PISA
Unit cell
Length a, b, c (Å)
22.909, 28.261, 59.373
Angle α, β, γ (deg.)
90.00, 90.00, 90.00
Int Tables number
19
Space group name H-M
P212121
-
Components
#1: Protein/peptide
InsulinBchain
Mass: 3039.510 Da / Num. of mol.: 1 / Mutation: D-ProB26 / Source method: obtained synthetically Details: This is the B chain of an analogue of human insulin with D-Pro at position B26, truncated at position B27Thr and terminated with carboxyamide CONH2 group Source: (synth.) Homo sapiens (human) / References: UniProt: P01308
#2: Protein/peptide
InsulinAchain
Mass: 2383.698 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: This is the wild type sequence of the A chain of human insulin Source: (synth.) Homo sapiens (human) / References: UniProt: P01308
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.17→21.38 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.963 / SU B: 0.948 / SU ML: 0.02 / Cross valid method: FREE R-VALUE / ESU R: 0.037 / ESU R Free: 0.037 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16635
681
5 %
RANDOM
Rwork
0.13432
-
-
-
obs
0.13579
12934
98.86 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK