PDB entry 1s9k



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 64.769 Åb: 86.260 Åc: 84.044 Å
α: 90.00°β: 111.24°γ: 90.00°
Resolution3.10 Å

Experimental data
ReflectionsAll: 15747Test set: 1546 (9.8%)
Resolution range29.39 Å3.05 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24200.25790.25790.2834
R-free0.27500.28670.28670.3194
σR-free 0.0052NA0.0057
R-free Z-score 3.21NA2.46

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.372-1.373-1.428
2nd generation packing quality1-1.841-1.840-1.643
Ramachandran plot appearance1-4.277-4.277-3.160
Chi-1/Chi-2 rotamer normality1-4.391-4.390-3.841
Backbone conformation1-0.087-0.087-0.086
Bond length RMS Z-score20.4810.4820.846
Bond angle RMS Z-score20.7670.7670.837
Total number of bumps314714759
Unsatisfied H-bond donors/acceptors3404045
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 residues312
Significantly deteriorated residues17170
Changes of all residuesPlot Plot

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