Optimised PDB entry 1jwm



Structure
SpacegroupH 3
Cell dimensionsa: 171.695 Åb: 171.695 Åc: 120.796 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 32856Test set: 1646 (5.0%)
Resolution range19.72 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.21280.17950.1798
R-free0.22800.25220.21660.2146
σR-free 0.00620.00530.0053
Z(R-free) 0.52-0.230.23

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.323-0.158-0.171
2nd generation packing quality1-1.784-1.410-1.320
Ramachandran plot appearance1-2.784-1.256-1.307
Chi-1/Chi-2 rotamer normality1-4.247-3.758-2.898
Backbone conformation1-0.0520.1160.138
Bond length RMS Z-score20.3330.4910.420
Bond angle RMS Z-score20.6620.7620.682
Total number of bumps31213930
Unsatisfied H-bond donors/acceptors3384135
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 residues101
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links