Optimised PDB entry 4c5x



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 25.300 Åb: 40.270 Åc: 64.880 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 19783Test set: 1013 (5.1%)
Resolution range34.22 Å1.21 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.14210.15650.15200.1682
R-free0.17340.16220.18850.1986
σR-free 0.00510.00590.0062
Z(R-free) 7.140.752.40

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score21.9581.0951.095
Bond angle RMS Z-score22.0381.2151.211
Total number of bumps3121212
Unsatisfied H-bond donors/acceptors3000
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 residues3
Significantly deteriorated residues7
Changes of all residuesPlot

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