Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.19800.21970.21380.2207
R-free0.25000.26420.25310.2655
σR-free 0.00750.00720.0076
Z(R-free) -0.080.49-0.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.961-0.814-0.907
2nd generation packing quality1-1.835-1.418-1.600
Ramachandran plot appearance1-2.682-1.924-1.907
Chi-1/Chi-2 rotamer normality1-4.280-2.649-2.814
Backbone conformation1-0.508-0.300-0.759
Bond length RMS Z-score20.4210.4030.424
Bond angle RMS Z-score20.6620.6580.703
Total number of bumps31034860
Unsatisfied H-bond donors/acceptors3746178
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 residues38
Significantly deteriorated residues32
Changes of all residuesPlot

Download

Links