Optimised PDB entry 3pgc



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 138.146 Åb: 138.146 Åc: 104.520 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.66 Å

Experimental data
ReflectionsAll: 33394Test set: 1670 (5.0%)
Resolution range34.54 Å2.66 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.20180.19000.1919
R-free0.25000.25080.22920.2327
σR-free 0.00610.00560.0057
Z(R-free) -1.41-0.21-0.42

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.0300.2100.256
2nd generation packing quality1-1.160-0.571-0.171
Ramachandran plot appearance1-1.484-0.0950.041
Chi-1/Chi-2 rotamer normality1-4.614-2.945-2.438
Backbone conformation11.1281.1351.153
Bond length RMS Z-score20.3790.6360.537
Bond angle RMS Z-score20.5900.7990.750
Total number of bumps3862728
Unsatisfied H-bond donors/acceptors3373536
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 residues53
Significantly deteriorated residues1
Changes of all residuesPlot

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