Optimised PDB entry 3vt4



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 153.725 Åb: 41.865 Åc: 42.217 Å
α: 90.00°β: 95.92°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 20138Test set: 1988 (9.9%)
Resolution range35.30 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21200.20690.18660.1866
R-free0.26000.24780.22120.2281
σR-free 0.00560.00500.0051
Z(R-free) 1.391.860.47

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.5260.5530.603
2nd generation packing quality1-0.1920.0910.218
Ramachandran plot appearance1-1.0720.0580.363
Chi-1/Chi-2 rotamer normality1-1.791-1.578-1.473
Backbone conformation1-0.798-0.773-0.718
Bond length RMS Z-score20.3450.5150.517
Bond angle RMS Z-score20.5510.7180.722
Total number of bumps3301113
Unsatisfied H-bond donors/acceptors3111213
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 residues52
Significantly deteriorated residues0
Changes of all residuesPlot

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