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
R0.17700.18200.17870.1764
R-free0.22800.22560.20990.2078
σR-free 0.00540.00500.0050
Z(R-free) 1.483.903.72

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.1911.1911.238
2nd generation packing quality1-0.462-0.190-0.128
Ramachandran plot appearance1-0.737-0.439-0.334
Chi-1/Chi-2 rotamer normality1-1.055-0.5750.290
Backbone conformation10.0750.1290.158
Bond length RMS Z-score20.3030.4270.418
Bond angle RMS Z-score20.5430.6960.688
Total number of bumps327810
Unsatisfied H-bond donors/acceptors3121211
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 residues0
Significantly deteriorated residues4
Changes of all residuesPlot

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