Optimised PDB entry 3vt8



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 155.068 Åb: 42.052 Åc: 41.868 Å
α: 90.00°β: 95.62°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 15169Test set: 1520 (10.0%)
Resolution range38.26 Å2.09 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18900.18450.16180.1586
R-free0.23500.22810.21090.2132
σR-free 0.00590.00540.0055
Z(R-free) 1.71-0.37-1.53

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.2360.2330.260
2nd generation packing quality1-0.111-0.0860.076
Ramachandran plot appearance1-0.5590.3330.232
Chi-1/Chi-2 rotamer normality1-1.378-2.332-2.044
Backbone conformation1-0.823-0.751-0.733
Bond length RMS Z-score20.2260.7050.690
Bond angle RMS Z-score20.4740.8620.853
Total number of bumps31386
Unsatisfied H-bond donors/acceptors31078
LinkLinkLink

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


Density map fit (real-space correlation coefficient)
Significantly improved residues42
Significantly deteriorated residues0
Changes of all residuesPlot

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