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
R0.21040.21830.19700.1959
R-free0.24730.22100.23210.2330
σR-free 0.00200.00210.0021
Z(R-free) 20.502.051.00

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-2.577-2.179-2.317
2nd generation packing quality1-3.619-3.049-3.208
Ramachandran plot appearance1-7.322-4.854-4.644
Chi-1/Chi-2 rotamer normality1-6.462-6.282-6.407
Backbone conformation1-1.913-1.573-1.973
Bond length RMS Z-score20.4820.4570.460
Bond angle RMS Z-score20.7390.8570.862
Total number of bumps3239510931156
Unsatisfied H-bond donors/acceptors3425379379
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 residues592
Significantly deteriorated residues22
Changes of all residuesPlot

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