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
R0.19400.21370.20870.2080
R-free0.24000.25740.24580.2543
σR-free 0.00620.00590.0061
Z(R-free) 5.476.564.79

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.428-0.511-0.507
2nd generation packing quality1-1.385-1.177-1.108
Ramachandran plot appearance1-1.769-1.071-0.881
Chi-1/Chi-2 rotamer normality1-3.186-1.857-2.003
Backbone conformation10.3350.3490.254
Bond length RMS Z-score20.4040.4070.411
Bond angle RMS Z-score20.6170.6480.653
Total number of bumps3732323
Unsatisfied H-bond donors/acceptors3594744
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 residues30
Significantly deteriorated residues7
Changes of all residuesPlot

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