PDB entry 4jv4



Warnings!

Structure
SpacegroupP 65 2 2
Cell dimensionsa: 89.830 Åb: 89.830 Åc: 185.055 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.95 Å

Experimental data
ReflectionsAll: 9850Test set: 0 (0.0%)
Resolution range44.92 Å2.95 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21800.24730.24760.2644
R-free0.28600.24530.26810.2996
σR-free 0.00780.00860.0096
R-free Z-score 6.603.371.84

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.850-1.369-0.986
2nd generation packing quality1-2.163-1.472-0.969
Ramachandran plot appearance1-4.608-3.084-3.480
Chi-1/Chi-2 rotamer normality1-5.062-1.975-4.296
Backbone conformation1-0.3850.085-0.707
Bond length RMS Z-score20.4490.2660.534
Bond angle RMS Z-score20.6570.4660.841
Total number of bumps36421195
Unsatisfied H-bond donors/acceptors3232933
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 residues201
Significantly deteriorated residues3110
Changes of all residuesPlot Plot

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