Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.22000.20800.19320.1927
R-free0.25800.21070.21980.2193
σR-free 0.00340.00360.0036
Z(R-free) 10.442.472.44

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.161-0.067-0.052
2nd generation packing quality1-1.383-1.130-1.150
Ramachandran plot appearance1-2.218-0.980-0.976
Chi-1/Chi-2 rotamer normality1-4.477-2.002-2.006
Backbone conformation1-1.046-0.893-0.898
Bond length RMS Z-score20.3350.5050.500
Bond angle RMS Z-score20.4980.6970.695
Total number of bumps31669594
Unsatisfied H-bond donors/acceptors3504746
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 residues41
Significantly deteriorated residues17
Changes of all residuesPlot

Download

Links