Optimised PDB entry 2fse



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 60.810 Åb: 109.000 Åc: 170.550 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.10 Å

Experimental data
ReflectionsAll: 20446Test set: 2087 (10.2%)
Resolution range29.75 Å3.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22200.25660.23610.2281
R-free0.29500.25980.27760.2734
σR-free 0.00570.00610.0060
Z(R-free) 8.440.930.05

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.787-0.256-0.208
2nd generation packing quality1-1.922-0.954-0.957
Ramachandran plot appearance1-4.991-2.335-1.972
Chi-1/Chi-2 rotamer normality1-5.841-3.992-3.093
Backbone conformation1-0.1270.2980.336
Bond length RMS Z-score20.3960.4380.433
Bond angle RMS Z-score20.8060.7110.700
Total number of bumps32544954
Unsatisfied H-bond donors/acceptors3826570
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 residues26
Significantly deteriorated residues0
Changes of all residuesPlot

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