Optimised PDB entry 3vt6



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 153.734 Åb: 42.724 Åc: 42.271 Å
α: 90.00°β: 95.55°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 11276Test set: 1158 (10.3%)
Resolution range41.15 Å2.29 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21000.21140.19470.1929
R-free0.24500.24340.22430.2271
σR-free 0.00720.00660.0067
Z(R-free) 6.997.006.10

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.2130.4250.468
2nd generation packing quality1-0.393-0.0440.224
Ramachandran plot appearance1-1.6590.2300.092
Chi-1/Chi-2 rotamer normality1-1.182-2.228-1.749
Backbone conformation1-1.015-0.755-0.753
Bond length RMS Z-score20.2060.4030.403
Bond angle RMS Z-score20.4380.6180.618
Total number of bumps3201112
Unsatisfied H-bond donors/acceptors3101211
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 residues31
Significantly deteriorated residues0
Changes of all residuesPlot

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