PDB entry 5cox



Warnings!

Structure
SpacegroupP 21 21 2
Cell dimensionsa: 180.460 Åb: 134.420 Åc: 119.900 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 50391Test set: 5077 (10.1%)
Resolution range20.00 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.32100.25420.27110.2711
R-free0.30800.25260.29210.2921
σR-free 0.00250.00290.0029
R-free Z-score 20.9611.4511.45

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.339-1.964-1.964
2nd generation packing quality1-2.438-2.178-2.178
Ramachandran plot appearance1-5.453-4.034-4.034
Chi-1/Chi-2 rotamer normality1-5.283-4.249-4.249
Backbone conformation1-1.868-1.538-1.538
Bond length RMS Z-score20.6420.4520.452
Bond angle RMS Z-score20.8890.6650.665
Total number of bumps3961334334
Unsatisfied H-bond donors/acceptors3333296296
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 residues01
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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