Optimised PDB entry 4fqx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 66.190 Åb: 121.649 Åc: 138.416 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 34028Test set: 1735 (5.1%)
Resolution range36.14 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19400.21360.19520.1927
R-free0.24000.25720.24600.2468
σR-free 0.00620.00590.0059
Z(R-free) 5.473.412.69

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.428-0.513-0.534
2nd generation packing quality1-1.575-1.389-1.417
Ramachandran plot appearance1-1.861-1.279-1.176
Chi-1/Chi-2 rotamer normality1-4.557-4.236-3.968
Backbone conformation10.4640.5050.276
Bond length RMS Z-score20.4040.6110.617
Bond angle RMS Z-score20.6170.7990.810
Total number of bumps3633653
Unsatisfied H-bond donors/acceptors3574753
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 residues94
Significantly deteriorated residues4
Changes of all residuesPlot

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