Optimised PDB entry 3zhv



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 80.464 Åb: 83.702 Åc: 160.333 Å
α: 99.68°β: 98.87°γ: 100.63°
Resolution2.30 Å

Experimental data
ReflectionsAll: 172548Test set: 8626 (5.0%)
Resolution range41.06 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20340.21380.21110.2125
R-free0.23540.24430.24140.2477
σR-free 0.00260.00260.0027
Z(R-free) 13.1212.8810.74

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.433-0.505-0.369
2nd generation packing quality1-1.880-2.072-1.551
Ramachandran plot appearance1-1.110-1.377-1.353
Chi-1/Chi-2 rotamer normality1-3.185-2.581-3.105
Backbone conformation1-1.143-1.211-1.223
Bond length RMS Z-score20.6250.7790.819
Bond angle RMS Z-score20.8820.8790.925
Total number of bumps3133147193
Unsatisfied H-bond donors/acceptors3194177224
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 residues64
Significantly deteriorated residues18
Changes of all residuesPlot

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