Optimised PDB entry 1j1c



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 82.900 Åb: 86.100 Åc: 178.100 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 86583Test set: 0 (0.0%)
Resolution range19.91 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21800.29860.17790.1767
R-free0.24200.29110.19250.1930
σR-free 0.00440.00290.0029
Z(R-free) 13.185.344.69

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.907-1.043-1.032
2nd generation packing quality1-0.989-0.856-0.648
Ramachandran plot appearance1-2.227-1.344-1.266
Chi-1/Chi-2 rotamer normality1-4.109-1.826-1.119
Backbone conformation1-0.429-0.487-0.475
Bond length RMS Z-score20.3200.7830.769
Bond angle RMS Z-score20.5750.8840.870
Total number of bumps31103323
Unsatisfied H-bond donors/acceptors3433738
LinkLinkLink

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


Density map fit (real-space correlation coefficient)
Significantly improved residues309
Significantly deteriorated residues5
Changes of all residuesPlot

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