Optimised PDB entry 1cdg



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 120.363 Åb: 110.935 Åc: 66.429 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 48567Test set: 0 (0.0%)
Resolution range15.03 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.16400.16100.14510.1467
R-freeNA0.16610.18200.1835
σR-free 0.00340.00370.0038
Z(R-free) 10.18-0.32-0.18

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.358-0.306-0.289
2nd generation packing quality1-1.482-1.315-1.139
Ramachandran plot appearance1-2.290-0.972-0.913
Chi-1/Chi-2 rotamer normality1-4.182-1.807-1.756
Backbone conformation1-1.001-0.756-0.780
Bond length RMS Z-score20.8570.5720.571
Bond angle RMS Z-score21.2860.7600.744
Total number of bumps3892321
Unsatisfied H-bond donors/acceptors3443935
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 residues78
Significantly deteriorated residues0
Changes of all residuesPlot

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