Optimised PDB entry 4b3s



Warnings!

Structure
SpacegroupP 41 21 2
Cell dimensionsa: 401.150 Åb: 401.150 Åc: 173.640 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.15 Å

Experimental data
ReflectionsAll: 240081Test set: 0 (0.0%)
Resolution range39.65 Å3.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21040.21870.19650.1907
R-free0.24730.22030.22920.2269
σR-free 0.00200.00210.0021
Z(R-free) 21.053.140.90

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-2.578-2.256-2.316
2nd generation packing quality1-2.955-2.459-2.612
Ramachandran plot appearance1-5.919-3.965-4.017
Chi-1/Chi-2 rotamer normality1-4.376-4.195-4.226
Backbone conformation1-1.244-0.918-0.955
Bond length RMS Z-score20.4820.4590.528
Bond angle RMS Z-score20.7390.8640.930
Total number of bumps3239711101272
Unsatisfied H-bond donors/acceptors3433400375
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 residues946
Significantly deteriorated residues6
Changes of all residuesPlot

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