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 conservative optimisationAfter full optimisation
R0.20000.19550.11680.1126
R-free0.26200.24480.13710.1339
σR-free 0.00480.00270.0026
R-free Z-score -1.671.630.96

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.035-1.302-1.497
2nd generation packing quality1-2.095-2.278-1.458
Ramachandran plot appearance1-2.812-1.721-1.178
Chi-1/Chi-2 rotamer normality1-3.623-1.687-0.830
Backbone conformation1-0.408-1.690-1.020
Bond length RMS Z-score20.8741.1071.043
Bond angle RMS Z-score21.0871.1731.116
Total number of bumps3352816
Unsatisfied H-bond donors/acceptors312911
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues70136
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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