PDB entry 3l9j



Structure
SpacegroupP 63 2 2
Cell dimensionsa: 83.905 Åb: 83.905 Åc: 149.172 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 18823Test set: 968 (5.1%)
Resolution range41.95 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17300.17310.15710.1707
R-free0.21700.21310.19480.2001
σR-free 0.00480.00440.0045
R-free Z-score 1.230.893.51

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.282-0.250-0.225
2nd generation packing quality1-0.940-1.009-0.768
Ramachandran plot appearance1-0.837-0.611-0.428
Chi-1/Chi-2 rotamer normality1-1.338-0.965-0.380
Backbone conformation10.1730.2470.246
Bond length RMS Z-score20.7050.6890.385
Bond angle RMS Z-score20.7520.8150.613
Total number of bumps3303019
Unsatisfied H-bond donors/acceptors3122725
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 residues514
Significantly deteriorated residues08
Changes of all residuesPlot Plot

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