PDB entry 4gbx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 66.167 Åb: 126.032 Åc: 143.107 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 24570Test set: 1228 (5.0%)
Resolution range36.99 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19800.22170.22170.2219
R-free0.25000.26560.26560.2730
σR-free 0.0054NA0.0055
R-free Z-score -1.04NA-2.31

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.961-0.960-0.928
2nd generation packing quality1-1.835-1.841-1.663
Ramachandran plot appearance1-2.682-2.685-2.786
Chi-1/Chi-2 rotamer normality1-4.280-4.279-3.797
Backbone conformation1-0.508-0.508-0.635
Bond length RMS Z-score20.4210.4220.535
Bond angle RMS Z-score20.6620.6620.746
Total number of bumps3103104145
Unsatisfied H-bond donors/acceptors3747465
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues4516
Significantly deteriorated residues102
Changes of all residuesPlot Plot

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