PDB entry 1i07



Structure
SpacegroupP 1
Cell dimensionsa: 27.899 Åb: 28.517 Åc: 37.188 Å
α: 107.39°β: 96.87°γ: 104.56°
Resolution1.80 Å

Experimental data
ReflectionsAll: 9025Test set: 517 (5.7%)
Resolution range25.93 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20200.21430.21520.2470
R-free0.23300.25180.23700.2545
σR-free 0.00760.00710.0077
R-free Z-score 2.014.396.92

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.465-1.376-1.400
2nd generation packing quality1-0.424-0.2050.167
Ramachandran plot appearance10.4220.7680.699
Chi-1/Chi-2 rotamer normality1-1.236-1.046-1.550
Backbone conformation1-0.0060.171-0.051
Bond length RMS Z-score20.3280.3800.565
Bond angle RMS Z-score20.6300.6360.659
Total number of bumps3221112
Unsatisfied H-bond donors/acceptors3578
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues141
Significantly deteriorated residues676
Changes of all residuesPlot Plot

Download

Links