Optimised PDB entry 4tsv



Structure
SpacegroupH 3
Cell dimensionsa: 66.720 Åb: 66.720 Åc: 85.090 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 12884Test set: 1326 (10.3%)
Resolution range7.98 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20000.19500.11740.1141
R-free0.26200.24520.15130.1487
σR-free 0.00670.00420.0041
Z(R-free) -1.34-2.17-2.56

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.046-1.335-1.667
2nd generation packing quality1-2.037-1.851-0.986
Ramachandran plot appearance1-3.624-2.899-2.627
Chi-1/Chi-2 rotamer normality1-5.698-2.960-2.462
Backbone conformation1-1.104-0.616-0.493
Bond length RMS Z-score20.8951.0090.943
Bond angle RMS Z-score21.0951.0901.050
Total number of bumps332109
Unsatisfied H-bond donors/acceptors3989
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 residues151
Significantly deteriorated residues0
Changes of all residuesPlot

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