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
R0.16400.16200.14670.1499
R-freeNA0.15750.17960.1808
σR-free 0.00330.00370.0037
Z(R-free) 13.450.861.62

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.358-0.318-0.285
2nd generation packing quality1-1.249-1.107-0.894
Ramachandran plot appearance1-1.737-0.669-0.556
Chi-1/Chi-2 rotamer normality1-2.970-1.124-0.893
Backbone conformation1-1.041-0.817-0.790
Bond length RMS Z-score20.8570.5760.586
Bond angle RMS Z-score21.2860.7700.762
Total number of bumps31233726
Unsatisfied H-bond donors/acceptors3343035
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 residues1
Changes of all residuesPlot

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