Optimised PDB entry 4gp6



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 43.690 Åb: 71.560 Åc: 118.610 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 22174Test set: 1743 (7.9%)
Resolution range37.29 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17700.18230.17750.1775
R-free0.22800.22530.20930.2132
σR-free 0.00540.00500.0051
Z(R-free) 1.613.722.88

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.1911.1561.203
2nd generation packing quality1-0.1590.0290.067
Ramachandran plot appearance1-0.3450.0140.081
Chi-1/Chi-2 rotamer normality1-0.480-0.291-0.199
Backbone conformation10.7250.7180.781
Bond length RMS Z-score20.3030.4870.476
Bond angle RMS Z-score20.5430.7570.744
Total number of bumps3521813
Unsatisfied H-bond donors/acceptors3141715
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 residues2
Significantly deteriorated residues4
Changes of all residuesPlot

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