PDB entry 1ps9



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 65.601 Åb: 109.227 Åc: 110.304 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 73047Test set: 3556 (4.9%)
Resolution range27.66 Å2.19 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20300.22910.17240.1720
R-free0.24300.26020.21550.2111
σR-free 0.00420.00350.0034
R-free Z-score 8.241.803.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.696-0.537-0.535
2nd generation packing quality1-1.790-1.751-1.476
Ramachandran plot appearance1-2.118-1.198-0.971
Chi-1/Chi-2 rotamer normality1-1.499-1.788-1.774
Backbone conformation1-0.553-0.519-0.534
Bond length RMS Z-score20.2790.4920.502
Bond angle RMS Z-score20.6190.7500.732
Total number of bumps31157272
Unsatisfied H-bond donors/acceptors3705862
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 residues452229
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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