PDB entry 1d3c



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 117.791 Åb: 109.532 Åc: 65.223 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.78 Å

Experimental data
ReflectionsAll: 77755Test set: 0 (0.0%)
Resolution range51.87 Å1.78 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22000.20850.18470.1840
R-free0.25800.20860.22080.2206
σR-free 0.00330.00350.0035
R-free Z-score 11.58-0.60-0.80

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.134-0.040-0.035
2nd generation packing quality1-1.089-0.936-0.895
Ramachandran plot appearance1-1.753-0.776-0.758
Chi-1/Chi-2 rotamer normality1-3.081-1.373-1.387
Backbone conformation1-1.000-0.857-0.886
Bond length RMS Z-score20.3350.5860.582
Bond angle RMS Z-score20.4980.7300.723
Total number of bumps3178144142
Unsatisfied H-bond donors/acceptors3383132
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 residues79168
Significantly deteriorated residues010
Changes of all residuesPlot Plot

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