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 conservative optimisationAfter full optimisation
R0.19100.16850.14580.1482
R-freeNA0.16350.16850.1741
σR-free 0.00360.00370.0038
R-free Z-score 8.780.11-0.66

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.661-0.904-0.886
2nd generation packing quality11.6101.5801.765
Ramachandran plot appearance10.3960.5510.616
Chi-1/Chi-2 rotamer normality1-1.487-0.864-0.498
Backbone conformation11.2961.0981.082
Bond length RMS Z-score20.4160.8660.818
Bond angle RMS Z-score20.7490.9870.964
Total number of bumps3432
Unsatisfied H-bond donors/acceptors3535
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 residues6965
Significantly deteriorated residues03
Changes of all residuesPlot Plot

Download

Links