Optimised PDB entry 2c7v



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 74.655 Åb: 90.244 Åc: 82.841 Å
α: 90.00°β: 115.76°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 49904Test set: 2534 (5.1%)
Resolution range28.76 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.15300.15420.14170.1414
R-free0.22300.21420.19250.1886
σR-free 0.00430.00380.0037
Z(R-free) -1.14-0.050.89

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.399-0.358-0.348
2nd generation packing quality1-1.199-1.108-1.007
Ramachandran plot appearance1-1.209-0.177-0.045
Chi-1/Chi-2 rotamer normality1-3.167-2.417-1.962
Backbone conformation1-0.877-0.869-0.832
Bond length RMS Z-score20.4920.6090.593
Bond angle RMS Z-score20.6590.8860.823
Total number of bumps3766558
Unsatisfied H-bond donors/acceptors3727478
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 residues46
Significantly deteriorated residues1
Changes of all residuesPlot

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