PDB entry 5tsw



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 94.170 Åb: 94.560 Åc: 95.890 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 37933Test set: 7667 (20.2%)
Resolution range8.19 Å2.18 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20700.34800.21800.2119
R-free0.29900.37770.29030.2870
σR-free 0.00320.00250.0024
R-free Z-score 39.6610.328.46

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.403-1.525-1.873
2nd generation packing quality1-2.638-2.837-2.100
Ramachandran plot appearance1-2.849-1.617-1.517
Chi-1/Chi-2 rotamer normality1-4.195-2.709-1.836
Backbone conformation1-1.102-1.029-1.068
Bond length RMS Z-score20.6020.5490.562
Bond angle RMS Z-score20.8580.7600.797
Total number of bumps31609584
Unsatisfied H-bond donors/acceptors3827658
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 residues457246
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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