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
R0.22200.25610.21550.2092
R-free0.29500.26010.26470.2628
σR-free 0.00570.00580.0058
Z(R-free) 8.28-1.05-2.03

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.735-0.0170.026
2nd generation packing quality1-1.863-0.840-0.769
Ramachandran plot appearance1-5.159-2.034-1.994
Chi-1/Chi-2 rotamer normality1-5.687-4.924-4.365
Backbone conformation10.2580.7690.803
Bond length RMS Z-score20.3960.5790.565
Bond angle RMS Z-score20.8060.8250.813
Total number of bumps32543340
Unsatisfied H-bond donors/acceptors3826766
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 residues89
Significantly deteriorated residues0
Changes of all residuesPlot

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