Optimised PDB entry 3v7a



Structure
SpacegroupP 43 2 2
Cell dimensionsa: 145.480 Åb: 145.480 Åc: 216.334 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.30 Å

Experimental data
ReflectionsAll: 30923Test set: 1536 (5.0%)
Resolution range31.54 Å3.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22700.23450.23470.2334
R-free0.28300.28690.28050.2799
σR-free 0.00730.00720.0071
Z(R-free) -0.750.150.03

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.176-0.911-0.888
2nd generation packing quality1-0.614-0.192-0.163
Ramachandran plot appearance1-2.998-2.475-2.549
Chi-1/Chi-2 rotamer normality1-4.797-4.262-4.473
Backbone conformation10.3010.2280.197
Bond length RMS Z-score20.2130.4470.444
Bond angle RMS Z-score20.4330.6730.673
Total number of bumps31837970
Unsatisfied H-bond donors/acceptors3153115114
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 residues43
Significantly deteriorated residues7
Changes of all residuesPlot

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