PDB entry 4i9q



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 73.781 Åb: 119.412 Åc: 146.016 Å
α: 90.00°β: 90.26°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 110601Test set: 5526 (5.0%)
Resolution range38.40 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.25200.26380.24060.2405
R-free0.28700.29750.27890.2782
σR-free 0.00400.00380.0037
R-free Z-score 10.638.218.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.588-0.544-0.545
2nd generation packing quality1-1.398-1.234-1.148
Ramachandran plot appearance1-1.628-1.328-1.435
Chi-1/Chi-2 rotamer normality1-0.872-1.948-1.703
Backbone conformation10.125-0.054-0.094
Bond length RMS Z-score20.2280.5080.528
Bond angle RMS Z-score20.4530.7080.706
Total number of bumps3254198204
Unsatisfied H-bond donors/acceptors3115116104
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 residues1765961
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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