Optimised PDB entry 4jgc



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 91.486 Åb: 53.555 Åc: 81.902 Å
α: 90.00°β: 95.10°γ: 90.00°
Resolution2.58 Å

Experimental data
ReflectionsAll: 11604Test set: 585 (5.0%)
Resolution range45.56 Å2.58 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23000.25000.18940.1880
R-free0.28300.30650.23640.2372
σR-free 0.01270.00980.0098
Z(R-free) 4.413.903.61

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.811-1.825-1.544
2nd generation packing quality1-2.157-1.859-1.460
Ramachandran plot appearance1-1.777-3.462-3.676
Chi-1/Chi-2 rotamer normality1-0.703-2.781-2.060
Backbone conformation1-1.300-1.438-1.416
Bond length RMS Z-score20.5480.5020.494
Bond angle RMS Z-score20.7170.8490.844
Total number of bumps3774843
Unsatisfied H-bond donors/acceptors3261619
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 residues148
Significantly deteriorated residues1
Changes of all residuesPlot

Download

Links