Optimised PDB entry 2jcw



Warnings!

Structure
SpacegroupH 3 2
Cell dimensionsa: 119.280 Åb: 119.280 Åc: 75.050 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 19256Test set: 0 (0.0%)
Resolution range60.72 Å1.69 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19100.16720.14360.1439
R-freeNA0.17230.17060.1730
σR-free 0.00550.00550.0055
Z(R-free) 3.87-0.80-1.16

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.661-0.944-0.916
2nd generation packing quality10.9990.8470.995
Ramachandran plot appearance10.0960.2660.430
Chi-1/Chi-2 rotamer normality1-1.982-1.099-0.468
Backbone conformation11.0481.0840.939
Bond length RMS Z-score20.4160.7770.722
Bond angle RMS Z-score20.7490.8980.874
Total number of bumps3443
Unsatisfied H-bond donors/acceptors3558
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 residues80
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links