Optimised PDB entry 1ofd



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 125.017 Åb: 149.665 Åc: 195.926 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 237741Test set: 0 (0.0%)
Resolution range43.23 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.19070.17400.1607
R-free0.23100.19350.19970.1872
σR-free 0.00180.00180.0017
Z(R-free) 21.676.895.12

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.436-0.398-0.361
2nd generation packing quality1-1.491-1.375-1.134
Ramachandran plot appearance1-1.342-0.896-0.786
Chi-1/Chi-2 rotamer normality1-3.943-2.011-1.453
Backbone conformation1-1.160-1.079-1.055
Bond length RMS Z-score20.5430.5490.575
Bond angle RMS Z-score20.8190.8530.819
Total number of bumps3283167115
Unsatisfied H-bond donors/acceptors3243206181
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 residues461
Significantly deteriorated residues4
Changes of all residuesPlot

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