Optimised PDB entry 4fbu



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 52.774 Åb: 181.458 Åc: 52.744 Å
α: 90.00°β: 109.49°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 25794Test set: 1324 (5.1%)
Resolution range31.24 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21700.22130.22130.2432
R-free0.26100.27040.27040.2959
σR-free 0.0074NA0.0081
Z(R-free) -1.28NA-1.14

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.100-0.101-0.036
2nd generation packing quality1-0.923-0.914-0.421
Ramachandran plot appearance1-3.797-3.801-1.818
Chi-1/Chi-2 rotamer normality1-4.760-4.763-4.085
Backbone conformation1-0.671-0.671-0.678
Bond length RMS Z-score20.4920.4930.529
Bond angle RMS Z-score20.8080.8080.801
Total number of bumps316916992
Unsatisfied H-bond donors/acceptors3707051
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 residues21
Significantly deteriorated residues25
Changes of all residuesPlot

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